3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide

C13H9F3N4OS — CID 122136688

IUPAC3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H9F3N4OS/c1-6-8(5-22-20-6)11(21)19-12-17-9-3-2-7(13(14,15)16)4-10(9)18-12/h2-5H,1H3,(H2,17,18,19,21)
InChIKeyVCHGETHCYGQDKK-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.60
Rot. Bonds2

About 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide

3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide (PubChem CID 122136688) has the molecular formula C13H9F3N4OS and a molecular weight of 326.30 g/mol. Its IUPAC name is 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide
PubChem CID122136688
Molecular FormulaC13H9F3N4OS
Molecular Weight326.30 g/mol
Exact Mass326.04
IUPAC Name3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H9F3N4OS/c1-6-8(5-22-20-6)11(21)19-12-17-9-3-2-7(13(14,15)16)4-10(9)18-12/h2-5H,1H3,(H2,17,18,19,21)
InChIKeyVCHGETHCYGQDKK-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
3-hydroxy-3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butanamide
CID 139518431
2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 70679287
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one
CID 135590508
bis(2,2,2-trifluoroacetic acid);2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 66563674
6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide
CID 172562577
3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide
CID 167929340
(3S)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxane-3-carboxamide
CID 124589847
2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane
CID 171637730
N-(3-methylbutyl)-3-[2-[[4-(trifluoromethyl)benzoyl]amino]-3H-benzimidazol-5-yl]benzamide
CID 168873259
1-[(3R)-oxolan-3-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]triazole-4-carboxamide
CID 124731016

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide (CID 122136688) is 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is VCHGETHCYGQDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4OS/c1-6-8(5-22-20-6)11(21)19-12-17-9-3-2-7(13(14,15)16)4-10(9)18-12/h2-5H,1H3,(H2,17,18,19,21).
What are the key properties of 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 326.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 122136688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).