Home Other Building Blocks 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane

CAS No.:
1042795-97-0
Catalog Number:
AG01ABB8
Molecular Formula:
C10H17N3S
Molecular Weight:
211.3271
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Product Description
Catalog Number:
AG01ABB8
Chemical Name:
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CAS Number:
1042795-97-0
Molecular Formula:
C10H17N3S
Molecular Weight:
211.3271
MDL Number:
MFCD11170982
IUPAC Name:
4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-thiazole
InChI:
InChI=1S/C10H17N3S/c1-9-12-10(8-14-9)7-13-5-2-3-11-4-6-13/h8,11H,2-7H2,1H3
InChI Key:
ZXMRSRLKEACDHW-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)CN1CCNCCC1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.114g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.327g/mol
Monoisotopic Mass:
211.114g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties