2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile

C13H11N5S — CID 104718973

IUPAC2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2CCc1nccs1
InChIInChI=1S/C13H11N5S/c14-8-9-2-1-3-10-12(9)17-13(15)18(10)6-4-11-16-5-7-19-11/h1-3,5,7H,4,6H2,(H2,15,17)
InChIKeyIECKQFOOILQKPD-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile

2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile (PubChem CID 104718973) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile
PubChem CID104718973
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2CCc1nccs1
InChIInChI=1S/C13H11N5S/c14-8-9-2-1-3-10-12(9)17-13(15)18(10)6-4-11-16-5-7-19-11/h1-3,5,7H,4,6H2,(H2,15,17)
InChIKeyIECKQFOOILQKPD-UHFFFAOYSA-N
XLogP2.19
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 115508865
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 63240191
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
CID 106375028
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989
2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630
2-amino-1-(oxolan-3-ylmethyl)benzimidazole-4-carbonitrile
CID 113445020

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile (CID 104718973) is 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(N)n2CCc1nccs1.
What is the InChIKey of 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile?
The InChIKey is IECKQFOOILQKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c14-8-9-2-1-3-10-12(9)17-13(15)18(10)6-4-11-16-5-7-19-11/h1-3,5,7H,4,6H2,(H2,15,17).
What are the key properties of 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile?
2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile has a molecular weight of 269.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).