2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile

C12H9N5S — CID 104714921

IUPAC2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(Cc3nccs3)c2c1
InChIInChI=1S/C12H9N5S/c13-6-8-1-2-9-10(5-8)17(12(14)16-9)7-11-15-3-4-18-11/h1-5H,7H2,(H2,14,16)
InChIKeyMMJXPRATNIVXRN-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile

2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile (PubChem CID 104714921) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile
PubChem CID104714921
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(Cc3nccs3)c2c1
InChIInChI=1S/C12H9N5S/c13-6-8-1-2-9-10(5-8)17(12(14)16-9)7-11-15-3-4-18-11/h1-5H,7H2,(H2,14,16)
InChIKeyMMJXPRATNIVXRN-UHFFFAOYSA-N
XLogP1.99
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 104715041
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
2-(2-chloroethyl)-3-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104715732
5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine
CID 54964595
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
CID 106035643
2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile
CID 113477805
2-amino-3-(thiolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 113444546
3-(1,3-thiazol-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290074
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
CID 104714857

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile (CID 104714921) is 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(Cc3nccs3)c2c1.
What is the InChIKey of 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile?
The InChIKey is MMJXPRATNIVXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c13-6-8-1-2-9-10(5-8)17(12(14)16-9)7-11-15-3-4-18-11/h1-5H,7H2,(H2,14,16).
What are the key properties of 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile?
2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile has a molecular weight of 255.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).