3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide

C21H22N2OS2 — CID 22467925

IUPAC3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCC1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C21H22N2OS2/c24-20(23-21-22-11-13-26-21)18(14-15-4-1-2-5-15)16-7-9-17(10-8-16)19-6-3-12-25-19/h3,6-13,15,18H,1-2,4-5,14H2,(H,22,23,24)
InChIKeyUXTKJNPUVUKCIK-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.17
Rot. Bonds6

About 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide

3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide (PubChem CID 22467925) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
PubChem CID22467925
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC Name3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCC1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C21H22N2OS2/c24-20(23-21-22-11-13-26-21)18(14-15-4-1-2-5-15)16-7-9-17(10-8-16)19-6-3-12-25-19/h3,6-13,15,18H,1-2,4-5,14H2,(H,22,23,24)
InChIKeyUXTKJNPUVUKCIK-UHFFFAOYSA-N
XLogP6.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 10159539
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22467915
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid
CID 10320880
3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 10200796
[4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-(hydroxyamino)phenyl]methanesulfinate
CID 174372789

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide (CID 22467925) is 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide is O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide?
The InChIKey is UXTKJNPUVUKCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c24-20(23-21-22-11-13-26-21)18(14-15-4-1-2-5-15)16-7-9-17(10-8-16)19-6-3-12-25-19/h3,6-13,15,18H,1-2,4-5,14H2,(H,22,23,24).
What are the key properties of 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide?
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide has a molecular weight of 382.55 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide is sourced from PubChem (CID 22467925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).