Name: Name:Methyl 5-(6-Chloro-4-(Isopropylamino)Pyridin-3-Yl)-1,3,4-Thiadiazole-2-Carboxylate
Brand: Angene
SKU: AG01DJQQ
Rating: 90 (10 reviews)

Methyl 5-(6-Chloro-4-(Isopropylamino)Pyridin-3-Yl)-1,3,4-Thiadiazole-2-Carboxylate

CAS No.:

1447227-78-2

Catalog Number:

AG01DJQQ

Molecular Formula:

C12H13ClN4O2S

Molecular Weight:

312.7752

Catalog Number:

AG01DJQQ

Chemical Name:

Methyl 5-(6-Chloro-4-(Isopropylamino)Pyridin-3-Yl)-1,3,4-Thiadiazole-2-Carboxylate

CAS Number:

1447227-78-2

Molecular Formula:

C12H13ClN4O2S

Molecular Weight:

312.7752

MDL Number:

MFCD30185765

IUPAC Name:

methyl 5-[6-chloro-4-(propan-2-ylamino)pyridin-3-yl]-1,3,4-thiadiazole-2-carboxylate

InChI:

InChI=1S/C12H13ClN4O2S/c1-6(2)15-8-4-9(13)14-5-7(8)10-16-17-11(20-10)12(18)19-3/h4-6H,1-3H3,(H,14,15)

InChI Key:

AEZPGDMNTWNKBS-UHFFFAOYSA-N

SMILES:

COC(=O)c1nnc(s1)c1cnc(cc1NC(C)C)Cl

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.772g/mol

Monoisotopic Mass:

312.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9