3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

C23H28N2O2S — CID 10200796

IUPAC3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCC(C)(O)C#Cc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C23H28N2O2S/c1-3-23(2,27)13-12-17-8-10-19(11-9-17)20(16-18-6-4-5-7-18)21(26)25-22-24-14-15-28-22/h8-11,14-15,18,20,27H,3-7,16H2,1-2H3,(H,24,25,26)
InChIKeyMWRLZMKJPZXNEL-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.96
Rot. Bonds6

About 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 10200796) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID10200796
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCC(C)(O)C#Cc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C23H28N2O2S/c1-3-23(2,27)13-12-17-8-10-19(11-9-17)20(16-18-6-4-5-7-18)21(26)25-22-24-14-15-28-22/h8-11,14-15,18,20,27H,3-7,16H2,1-2H3,(H,24,25,26)
InChIKeyMWRLZMKJPZXNEL-UHFFFAOYSA-N
XLogP4.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22315205
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
2-(3-cyano-4-methylsulfonylphenyl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 142018504
3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 10159539

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (CID 10200796) is 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is CCC(C)(O)C#Cc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MWRLZMKJPZXNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-3-23(2,27)13-12-17-8-10-19(11-9-17)20(16-18-6-4-5-7-18)21(26)25-22-24-14-15-28-22/h8-11,14-15,18,20,27H,3-7,16H2,1-2H3,(H,24,25,26).
What are the key properties of 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 396.56 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 10200796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).