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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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).