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

C27H24N6S — CID 171349483

IUPACN-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(/N=C/c2ccccc2)/c(=N\Nc2nc(-c3ccccc3)cs2)n(-c2ccccc2)n1C
InChIInChI=1S/C27H24N6S/c1-20-25(28-18-21-12-6-3-7-13-21)26(33(32(20)2)23-16-10-5-11-17-23)30-31-27-29-24(19-34-27)22-14-8-4-9-15-22/h3-19H,1-2H3,(H,29,31)/b28-18+,30-26+
InChIKeyYPDPDLHUQDNRLY-UROKKCKISA-N
MW464.60 g/mol
LogP5.93
Rot. Bonds6

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

N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 171349483) has the molecular formula C27H24N6S and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID171349483
Molecular FormulaC27H24N6S
Molecular Weight464.60 g/mol
Exact Mass464.18
IUPAC NameN-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(/N=C/c2ccccc2)/c(=N\Nc2nc(-c3ccccc3)cs2)n(-c2ccccc2)n1C
InChIInChI=1S/C27H24N6S/c1-20-25(28-18-21-12-6-3-7-13-21)26(33(32(20)2)23-16-10-5-11-17-23)30-31-27-29-24(19-34-27)22-14-8-4-9-15-22/h3-19H,1-2H3,(H,29,31)/b28-18+,30-26+
InChIKeyYPDPDLHUQDNRLY-UROKKCKISA-N
XLogP5.93
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.60
LogP ≤ 55.93
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-(benzylideneamino)-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-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine (CID 171349483) is N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine is Cc1c(/N=C/c2ccccc2)/c(=N\Nc2nc(-c3ccccc3)cs2)n(-c2ccccc2)n1C.
What is the InChIKey of N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is YPDPDLHUQDNRLY-UROKKCKISA-N. The full InChI is InChI=1S/C27H24N6S/c1-20-25(28-18-21-12-6-3-7-13-21)26(33(32(20)2)23-16-10-5-11-17-23)30-31-27-29-24(19-34-27)22-14-8-4-9-15-22/h3-19H,1-2H3,(H,29,31)/b28-18+,30-26+.
What are the key properties of N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 464.60 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 171349483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).