N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide

C13H12N4OS — CID 110468003

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
SMILESCC(NC(=O)c1nccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4OS/c1-8(15-12(18)13-14-6-7-19-13)11-16-9-4-2-3-5-10(9)17-11/h2-8H,1H3,(H,15,18)(H,16,17)
InChIKeyVCWAAMUWRSWHQN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.51
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 110468003) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
PubChem CID110468003
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
SMILESCC(NC(=O)c1nccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4OS/c1-8(15-12(18)13-14-6-7-19-13)11-16-9-4-2-3-5-10(9)17-11/h2-8H,1H3,(H,15,18)(H,16,17)
InChIKeyVCWAAMUWRSWHQN-UHFFFAOYSA-N
XLogP2.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 99945716
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61067307
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide (CID 110468003) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide is CC(NC(=O)c1nccs1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is VCWAAMUWRSWHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8(15-12(18)13-14-6-7-19-13)11-16-9-4-2-3-5-10(9)17-11/h2-8H,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110468003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).