(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide

C18H23N3O3S — CID 24820077

IUPAC(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1
InChIInChI=1S/C18H23N3O3S/c1-11(2)12-3-5-13(6-4-12)19-17(23)15-9-25-10-21(15)18(24)14-7-8-16(22)20-14/h3-6,11,14-15H,7-10H2,1-2H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1
InChIKeyVUEXDJJFWROYAE-LSDHHAIUSA-N
MW361.47 g/mol
LogP1.93
Rot. Bonds4

About (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide

(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 24820077) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID24820077
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1
InChIInChI=1S/C18H23N3O3S/c1-11(2)12-3-5-13(6-4-12)19-17(23)15-9-25-10-21(15)18(24)14-7-8-16(22)20-14/h3-6,11,14-15H,7-10H2,1-2H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1
InChIKeyVUEXDJJFWROYAE-LSDHHAIUSA-N
XLogP1.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide (CID 24820077) is (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide is CC(C)c1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1.
What is the InChIKey of (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VUEXDJJFWROYAE-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11(2)12-3-5-13(6-4-12)19-17(23)15-9-25-10-21(15)18(24)14-7-8-16(22)20-14/h3-6,11,14-15H,7-10H2,1-2H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1.
What are the key properties of (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24820077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).