(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide

C14H19N3O2S2 — CID 95293035

IUPAC(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C14H19N3O2S2/c1-4-5-9(2)13(19)17-8-20-7-11(17)12(18)16-14-15-6-10(3)21-14/h5-6,11H,4,7-8H2,1-3H3,(H,15,16,18)/b9-5-/t11-/m1/s1
InChIKeyXOOKABVIKZKSFD-YOOZJCNJSA-N
MW325.46 g/mol
LogP2.65
Rot. Bonds4

About (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide

(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95293035) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID95293035
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C14H19N3O2S2/c1-4-5-9(2)13(19)17-8-20-7-11(17)12(18)16-14-15-6-10(3)21-14/h5-6,11H,4,7-8H2,1-3H3,(H,15,16,18)/b9-5-/t11-/m1/s1
InChIKeyXOOKABVIKZKSFD-YOOZJCNJSA-N
XLogP2.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide (CID 95293035) is (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide is CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C)s1.
What is the InChIKey of (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XOOKABVIKZKSFD-YOOZJCNJSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-5-9(2)13(19)17-8-20-7-11(17)12(18)16-14-15-6-10(3)21-14/h5-6,11H,4,7-8H2,1-3H3,(H,15,16,18)/b9-5-/t11-/m1/s1.
What are the key properties of (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95293035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).