N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C17H18N4O3S — CID 24524945

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2nc(C(C)=O)cs2)c2ccccc21
InChIInChI=1S/C17H18N4O3S/c1-3-8-20-13-6-4-5-7-14(13)21(17(20)24)9-15(23)19-16-18-12(10-25-16)11(2)22/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,23)
InChIKeyWEIWXXFOSPSQBM-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.51
Rot. Bonds6

About N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 24524945) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID24524945
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2nc(C(C)=O)cs2)c2ccccc21
InChIInChI=1S/C17H18N4O3S/c1-3-8-20-13-6-4-5-7-14(13)21(17(20)24)9-15(23)19-16-18-12(10-25-16)11(2)22/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,23)
InChIKeyWEIWXXFOSPSQBM-UHFFFAOYSA-N
XLogP2.51
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 18130049
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 42380329
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 17464567
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24555100
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18110836
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
CID 103118181
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
CID 55450942
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 16592789
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 35848049

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 24524945) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)Nc2nc(C(C)=O)cs2)c2ccccc21.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is WEIWXXFOSPSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-8-20-13-6-4-5-7-14(13)21(17(20)24)9-15(23)19-16-18-12(10-25-16)11(2)22/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,23).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 24524945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).