N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine

C27H23FN6S — CID 171345586

IUPACN-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(/N=C/c2cccc(F)c2)/c(=N\Nc2nc(-c3ccccc3)cs2)n(-c2ccccc2)n1C
InChIInChI=1S/C27H23FN6S/c1-19-25(29-17-20-10-9-13-22(28)16-20)26(34(33(19)2)23-14-7-4-8-15-23)31-32-27-30-24(18-35-27)21-11-5-3-6-12-21/h3-18H,1-2H3,(H,30,32)/b29-17+,31-26+
InChIKeyWNAOUCKKORJFCC-CVRAUOMMSA-N
MW482.59 g/mol
LogP6.07
Rot. Bonds6

About N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine

N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 171345586) has the molecular formula C27H23FN6S and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID171345586
Molecular FormulaC27H23FN6S
Molecular Weight482.59 g/mol
Exact Mass482.17
IUPAC NameN-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(/N=C/c2cccc(F)c2)/c(=N\Nc2nc(-c3ccccc3)cs2)n(-c2ccccc2)n1C
InChIInChI=1S/C27H23FN6S/c1-19-25(29-17-20-10-9-13-22(28)16-20)26(34(33(19)2)23-14-7-4-8-15-23)31-32-27-30-24(18-35-27)21-11-5-3-6-12-21/h3-18H,1-2H3,(H,30,32)/b29-17+,31-26+
InChIKeyWNAOUCKKORJFCC-CVRAUOMMSA-N
XLogP6.07
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine 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 N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine (CID 171345586) is N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine is Cc1c(/N=C/c2cccc(F)c2)/c(=N\Nc2nc(-c3ccccc3)cs2)n(-c2ccccc2)n1C.
What is the InChIKey of N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is WNAOUCKKORJFCC-CVRAUOMMSA-N. The full InChI is InChI=1S/C27H23FN6S/c1-19-25(29-17-20-10-9-13-22(28)16-20)26(34(33(19)2)23-14-7-4-8-15-23)31-32-27-30-24(18-35-27)21-11-5-3-6-12-21/h3-18H,1-2H3,(H,30,32)/b29-17+,31-26+.
What are the key properties of N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 482.59 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(3-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 171345586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).