N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide

C15H14N4OS — CID 97084171

IUPACN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)c3cscn3)ccc21
InChIInChI=1S/C15H14N4OS/c1-19-13-5-4-10(17-15(20)12-7-21-8-16-12)6-11(13)18-14(19)9-2-3-9/h4-9H,2-3H2,1H3,(H,17,20)
InChIKeyYIPMHIJTLUJUOQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.16
Rot. Bonds3

About N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 97084171) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID97084171
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)c3cscn3)ccc21
InChIInChI=1S/C15H14N4OS/c1-19-13-5-4-10(17-15(20)12-7-21-8-16-12)6-11(13)18-14(19)9-2-3-9/h4-9H,2-3H2,1H3,(H,17,20)
InChIKeyYIPMHIJTLUJUOQ-UHFFFAOYSA-N
XLogP3.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 75392653
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide
CID 75393659
3-acetamido-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)benzamide
CID 110793284
9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993673
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 68694369
(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
CID 166238515
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
2-(5-acetyl-2-methoxyphenyl)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)acetamide
CID 71907055
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide (CID 97084171) is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide is Cn1c(C2CC2)nc2cc(NC(=O)c3cscn3)ccc21.
What is the InChIKey of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YIPMHIJTLUJUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-19-13-5-4-10(17-15(20)12-7-21-8-16-12)6-11(13)18-14(19)9-2-3-9/h4-9H,2-3H2,1H3,(H,17,20).
What are the key properties of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide?
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97084171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).