N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine

C16H19N3S — CID 52941812

IUPACN-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC1CCC/C(=N/Nc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C16H19N3S/c1-12-6-5-9-14(10-12)18-19-16-17-15(11-20-16)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,19)/b18-14-
InChIKeyTYXGDELQOONTQQ-JXAWBTAJSA-N
MW285.42 g/mol
LogP4.79
Rot. Bonds3

About N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine

N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 52941812) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID52941812
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC1CCC/C(=N/Nc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C16H19N3S/c1-12-6-5-9-14(10-12)18-19-16-17-15(11-20-16)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,19)/b18-14-
InChIKeyTYXGDELQOONTQQ-JXAWBTAJSA-N
XLogP4.79
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.79
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 N-[(Z)-(3-methylcyclohexylidene)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-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine (CID 52941812) is N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine is CC1CCC/C(=N/Nc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is TYXGDELQOONTQQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12-6-5-9-14(10-12)18-19-16-17-15(11-20-16)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,19)/b18-14-.
What are the key properties of N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52941812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).