3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

C18H16N4O2S2 — CID 16592789

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2nc(-c3cccs3)cs2)c2ccccc21
InChIInChI=1S/C18H16N4O2S2/c1-21-13-5-2-3-6-14(13)22(18(21)24)9-8-16(23)20-17-19-12(11-26-17)15-7-4-10-25-15/h2-7,10-11H,8-9H2,1H3,(H,19,20,23)
InChIKeyJQBKYKQKZNHBJK-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.55
Rot. Bonds5

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 16592789) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID16592789
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2nc(-c3cccs3)cs2)c2ccccc21
InChIInChI=1S/C18H16N4O2S2/c1-21-13-5-2-3-6-14(13)22(18(21)24)9-8-16(23)20-17-19-12(11-26-17)15-7-4-10-25-15/h2-7,10-11H,8-9H2,1H3,(H,19,20,23)
InChIKeyJQBKYKQKZNHBJK-UHFFFAOYSA-N
XLogP3.55
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16594440
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2337188
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24555100
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593015
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 16598987
N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide
CID 108742103
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24604003
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 16592789) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is Cn1c(=O)n(CCC(=O)Nc2nc(-c3cccs3)cs2)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is JQBKYKQKZNHBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-21-13-5-2-3-6-14(13)22(18(21)24)9-8-16(23)20-17-19-12(11-26-17)15-7-4-10-25-15/h2-7,10-11H,8-9H2,1H3,(H,19,20,23).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 384.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16592789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).