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

C27H26N2OS — CID 10159539

IUPAC3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCC1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C27H26N2OS/c30-26(29-27-28-16-17-31-27)25(18-19-6-1-2-7-19)22-14-12-21(13-15-22)24-11-5-9-20-8-3-4-10-23(20)24/h3-5,8-17,19,25H,1-2,6-7,18H2,(H,28,29,30)
InChIKeyUGZFUKISNCSMNJ-UHFFFAOYSA-N
MW426.59 g/mol
LogP7.27
Rot. Bonds6

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

3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 10159539) has the molecular formula C27H26N2OS and a molecular weight of 426.59 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID10159539
Molecular FormulaC27H26N2OS
Molecular Weight426.59 g/mol
Exact Mass426.18
IUPAC Name3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCC1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C27H26N2OS/c30-26(29-27-28-16-17-31-27)25(18-19-6-1-2-7-19)22-14-12-21(13-15-22)24-11-5-9-20-8-3-4-10-23(20)24/h3-5,8-17,19,25H,1-2,6-7,18H2,(H,28,29,30)
InChIKeyUGZFUKISNCSMNJ-UHFFFAOYSA-N
XLogP7.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
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3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
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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-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 10090582
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-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 10200796
3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 10159539) is 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UGZFUKISNCSMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2OS/c30-26(29-27-28-16-17-31-27)25(18-19-6-1-2-7-19)22-14-12-21(13-15-22)24-11-5-9-20-8-3-4-10-23(20)24/h3-5,8-17,19,25H,1-2,6-7,18H2,(H,28,29,30).
What are the key properties of 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 426.59 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 10159539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).