Name: Name:[4-(1-Adamantyl)-1,3-thiazol-2-yl]acetonitrile
Brand: Angene
SKU: AG00I8W8
Rating: 90 (10 reviews)

[4-(1-Adamantyl)-1,3-thiazol-2-yl]acetonitrile

CAS No.:

497933-44-5

Catalog Number:

AG00I8W8

Molecular Formula:

C15H18N2S

Molecular Weight:

258.3818

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

1 week

United States

$253

- +

Product Description

Catalog Number:

AG00I8W8

Chemical Name:

[4-(1-Adamantyl)-1,3-thiazol-2-yl]acetonitrile

CAS Number:

497933-44-5

Molecular Formula:

C15H18N2S

Molecular Weight:

258.3818

MDL Number:

MFCD06655934

IUPAC Name:

2-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetonitrile

InChI:

InChI=1S/C15H18N2S/c16-2-1-14-17-13(9-18-14)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,1,3-8H2

InChI Key:

KKWHZLLDUUVCAT-UHFFFAOYSA-N

SMILES:

N#CCc1scc(n1)C12CC3CC(C2)CC(C1)C3

Properties

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.119g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.383g/mol

Monoisotopic Mass:

258.119g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties