(5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one

C21H19N5OS — CID 135867755

IUPAC(5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2\S/C(=N/c3c(C)nn(-c4ccccc4)c3N)NC2=O)cc1
InChIInChI=1S/C21H19N5OS/c1-13-8-10-15(11-9-13)12-17-20(27)24-21(28-17)23-18-14(2)25-26(19(18)22)16-6-4-3-5-7-16/h3-12H,22H2,1-2H3,(H,23,24,27)/b17-12-
InChIKeyNBGOTRNPIXSVAP-ATVHPVEESA-N
MW389.48 g/mol
LogP3.96
Rot. Bonds3

About (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135867755) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135867755
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name(5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2\S/C(=N/c3c(C)nn(-c4ccccc4)c3N)NC2=O)cc1
InChIInChI=1S/C21H19N5OS/c1-13-8-10-15(11-9-13)12-17-20(27)24-21(28-17)23-18-14(2)25-26(19(18)22)16-6-4-3-5-7-16/h3-12H,22H2,1-2H3,(H,23,24,27)/b17-12-
InChIKeyNBGOTRNPIXSVAP-ATVHPVEESA-N
XLogP3.96
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 135408126
(5E)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137120482
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
(5Z)-5-[(4-bromophenyl)methylidene]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1,3-thiazolidin-4-one
CID 135527183
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
2-(4-methylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135461464
(5E)-2-(4-methylphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137080237
4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766142
2-(3,4-dimethylphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486677
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135498605
2-(3-iodophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 165344731

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135867755) is (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/C=C2\S/C(=N/c3c(C)nn(-c4ccccc4)c3N)NC2=O)cc1.
What is the InChIKey of (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is NBGOTRNPIXSVAP-ATVHPVEESA-N. The full InChI is InChI=1S/C21H19N5OS/c1-13-8-10-15(11-9-13)12-17-20(27)24-21(28-17)23-18-14(2)25-26(19(18)22)16-6-4-3-5-7-16/h3-12H,22H2,1-2H3,(H,23,24,27)/b17-12-.
What are the key properties of (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 389.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135867755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).