4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one

C26H22N4OS — CID 1286985

IUPAC4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C26H22N4OS/c1-19-24(25(31)30(28(19)2)22-16-10-5-11-17-22)27-26-29(21-14-8-4-9-15-21)23(18-32-26)20-12-6-3-7-13-20/h3-18H,1-2H3/b27-26-
InChIKeyYSDKLJLQBNLZIB-RQZHXJHFSA-N
MW438.56 g/mol
LogP5.24
Rot. Bonds4

About 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 1286985) has the molecular formula C26H22N4OS and a molecular weight of 438.56 g/mol. Its IUPAC name is 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID1286985
Molecular FormulaC26H22N4OS
Molecular Weight438.56 g/mol
Exact Mass438.15
IUPAC Name4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C26H22N4OS/c1-19-24(25(31)30(28(19)2)22-16-10-5-11-17-22)27-26-29(21-14-8-4-9-15-21)23(18-32-26)20-12-6-3-7-13-20/h3-18H,1-2H3/b27-26-
InChIKeyYSDKLJLQBNLZIB-RQZHXJHFSA-N
XLogP5.24
TPSA44.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 1286985) is 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is YSDKLJLQBNLZIB-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H22N4OS/c1-19-24(25(31)30(28(19)2)22-16-10-5-11-17-22)27-26-29(21-14-8-4-9-15-21)23(18-32-26)20-12-6-3-7-13-20/h3-18H,1-2H3/b27-26-.
What are the key properties of 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 438.56 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 1286985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).