(5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

C19H19N3OS — CID 134148432

IUPAC(5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2C)cc1
InChIInChI=1S/C19H19N3OS/c1-13(2)15-4-6-16(7-5-15)21-19-22(3)18(23)17(24-19)12-14-8-10-20-11-9-14/h4-13H,1-3H3/b17-12-,21-19+
InChIKeyGHXWLLGOUIAPRQ-HATACVMWSA-N
MW337.45 g/mol
LogP4.44
Rot. Bonds3

About (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 134148432) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID134148432
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2C)cc1
InChIInChI=1S/C19H19N3OS/c1-13(2)15-4-6-16(7-5-15)21-19-22(3)18(23)17(24-19)12-14-8-10-20-11-9-14/h4-13H,1-3H3/b17-12-,21-19+
InChIKeyGHXWLLGOUIAPRQ-HATACVMWSA-N
XLogP4.44
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 134148432) is (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is CC(C)c1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2C)cc1.
What is the InChIKey of (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is GHXWLLGOUIAPRQ-HATACVMWSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(2)15-4-6-16(7-5-15)21-19-22(3)18(23)17(24-19)12-14-8-10-20-11-9-14/h4-13H,1-3H3/b17-12-,21-19+.
What are the key properties of (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 337.45 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-2-(4-propan-2-ylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 134148432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).