(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide

C17H22N2O3S — CID 7323775

IUPAC(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C17H22N2O3S/c1-11(20)19-14(16(22)18-12-6-2-3-7-12)10-23-17(19)13-8-4-5-9-15(13)21/h4-5,8-9,12,14,17,21H,2-3,6-7,10H2,1H3,(H,18,22)/t14-,17+/m0/s1
InChIKeyVFNIRURYDWTBMY-WMLDXEAASA-N
MW334.44 g/mol
LogP2.41
Rot. Bonds3

About (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide

(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 7323775) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID7323775
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C17H22N2O3S/c1-11(20)19-14(16(22)18-12-6-2-3-7-12)10-23-17(19)13-8-4-5-9-15(13)21/h4-5,8-9,12,14,17,21H,2-3,6-7,10H2,1H3,(H,18,22)/t14-,17+/m0/s1
InChIKeyVFNIRURYDWTBMY-WMLDXEAASA-N
XLogP2.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 809786
(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 34421867
N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744161
3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4984599
(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 13066729
tert-butyl 2-(4-chlorophenyl)-4-(cyclohexylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 4544693
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
2-[[(2R,4R)-3-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 22825214
3-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142
N-[1-(cyclohexylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 4910517
(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95051142
3-acetyl-2-(2-deuteriophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 139903120

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 7323775) is (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)NC1CCCC1.
What is the InChIKey of (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VFNIRURYDWTBMY-WMLDXEAASA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11(20)19-14(16(22)18-12-6-2-3-7-12)10-23-17(19)13-8-4-5-9-15(13)21/h4-5,8-9,12,14,17,21H,2-3,6-7,10H2,1H3,(H,18,22)/t14-,17+/m0/s1.
What are the key properties of (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide?
(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7323775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).