N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide

C13H12N4O2S — CID 63047659

IUPACN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1cscn1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H12N4O2S/c1-7(15-12(18)11-5-20-6-14-11)8-2-3-9-10(4-8)17-13(19)16-9/h2-7H,1H3,(H,15,18)(H2,16,17,19)
InChIKeyDJCLJZTUIATVBW-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.80
Rot. Bonds3

About N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide

N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 63047659) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID63047659
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1cscn1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H12N4O2S/c1-7(15-12(18)11-5-20-6-14-11)8-2-3-9-10(4-8)17-13(19)16-9/h2-7H,1H3,(H,15,18)(H2,16,17,19)
InChIKeyDJCLJZTUIATVBW-UHFFFAOYSA-N
XLogP1.80
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-4-[1-(1,3-thiazole-4-carbonylamino)ethyl]benzoate
CID 171791978
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 94147869
3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 52520664
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55972322
4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 95289715
5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62090338
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 63047659) is N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1cscn1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DJCLJZTUIATVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7(15-12(18)11-5-20-6-14-11)8-2-3-9-10(4-8)17-13(19)16-9/h2-7H,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63047659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).