(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C21H24N2O2S — CID 7323796

IUPAC(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@H](C(=O)NCc2ccc(C)cc2)CS[C@H]1c1ccc(C)cc1
InChIInChI=1S/C21H24N2O2S/c1-14-4-8-17(9-5-14)12-22-20(25)19-13-26-21(23(19)16(3)24)18-10-6-15(2)7-11-18/h4-11,19,21H,12-13H2,1-3H3,(H,22,25)/t19-,21-/m0/s1
InChIKeyUBTWNHHBEBKBTA-FPOVZHCZSA-N
MW368.50 g/mol
LogP3.58
Rot. Bonds4

About (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 7323796) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID7323796
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@H](C(=O)NCc2ccc(C)cc2)CS[C@H]1c1ccc(C)cc1
InChIInChI=1S/C21H24N2O2S/c1-14-4-8-17(9-5-14)12-22-20(25)19-13-26-21(23(19)16(3)24)18-10-6-15(2)7-11-18/h4-11,19,21H,12-13H2,1-3H3,(H,22,25)/t19-,21-/m0/s1
InChIKeyUBTWNHHBEBKBTA-FPOVZHCZSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323795
(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323787
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780516
(3R,9bR)-6,7-dimethoxy-N-[(4-methylphenyl)methyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7091880
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 93097515
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
(2S,4S)-4-N-[(4-chlorophenyl)methyl]-3-N-(3,4-dimethylphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 92703684
3-(4-methylbenzoyl)-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 42743968

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 7323796) is (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is CC(=O)N1[C@H](C(=O)NCc2ccc(C)cc2)CS[C@H]1c1ccc(C)cc1.
What is the InChIKey of (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is UBTWNHHBEBKBTA-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14-4-8-17(9-5-14)12-22-20(25)19-13-26-21(23(19)16(3)24)18-10-6-15(2)7-11-18/h4-11,19,21H,12-13H2,1-3H3,(H,22,25)/t19-,21-/m0/s1.
What are the key properties of (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7323796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).