4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine

C19H17N3S — CID 6882053

IUPAC4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C19H17N3S/c1-15-9-11-17(12-10-15)18-14-23-19(21-18)22-20-13-5-8-16-6-3-2-4-7-16/h2-14H,1H3,(H,21,22)/b8-5+,20-13+
InChIKeyJTGMQEDQKBUKSW-IYYWNBDZSA-N
MW319.43 g/mol
LogP5.23
Rot. Bonds5

About 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine

4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine (PubChem CID 6882053) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
PubChem CID6882053
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C19H17N3S/c1-15-9-11-17(12-10-15)18-14-23-19(21-18)22-20-13-5-8-16-6-3-2-4-7-16/h2-14H,1H3,(H,21,22)/b8-5+,20-13+
InChIKeyJTGMQEDQKBUKSW-IYYWNBDZSA-N
XLogP5.23
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-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 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine (CID 6882053) is 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?
The InChIKey is JTGMQEDQKBUKSW-IYYWNBDZSA-N. The full InChI is InChI=1S/C19H17N3S/c1-15-9-11-17(12-10-15)18-14-23-19(21-18)22-20-13-5-8-16-6-3-2-4-7-16/h2-14H,1H3,(H,21,22)/b8-5+,20-13+.
What are the key properties of 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6882053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).