(2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide

C18H20N2O2S — CID 97266360

IUPAC(2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1nccs1)c1ccc(C[C@H]2CCCC2=O)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(17(22)20-18-19-9-10-23-18)14-7-5-13(6-8-14)11-15-3-2-4-16(15)21/h5-10,12,15H,2-4,11H2,1H3,(H,19,20,22)/t12-,15+/m0/s1
InChIKeyLLUPATUCGCRPDZ-SWLSCSKDSA-N
MW328.44 g/mol
LogP3.80
Rot. Bonds5

About (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 97266360) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID97266360
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1nccs1)c1ccc(C[C@H]2CCCC2=O)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(17(22)20-18-19-9-10-23-18)14-7-5-13(6-8-14)11-15-3-2-4-16(15)21/h5-10,12,15H,2-4,11H2,1H3,(H,19,20,22)/t12-,15+/m0/s1
InChIKeyLLUPATUCGCRPDZ-SWLSCSKDSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide with MolForge

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Related Compounds

2-[[4-[(2S)-4-methyl-3-oxopentan-2-yl]phenyl]methyl]cyclopentan-1-one
CID 118474303
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
sodium;hydride;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid;hydrate
CID 173000744
(2R)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 110204106
2-(2-hydroxyethylamino)ethanol;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
CID 71735844
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
2-[[2-(2-oxocyclopentyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 143038339
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide (CID 97266360) is (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide is C[C@H](C(=O)Nc1nccs1)c1ccc(C[C@H]2CCCC2=O)cc1.
What is the InChIKey of (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LLUPATUCGCRPDZ-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(17(22)20-18-19-9-10-23-18)14-7-5-13(6-8-14)11-15-3-2-4-16(15)21/h5-10,12,15H,2-4,11H2,1H3,(H,19,20,22)/t12-,15+/m0/s1.
What are the key properties of (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 328.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 97266360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).