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

C16H19N3S — CID 19133249

IUPACN-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC1CCC(=NNc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3S/c1-12-7-9-14(10-8-12)18-19-16-17-15(11-20-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,19)/b18-14-
InChIKeyPXVGXDMYLCHKEL-JXAWBTAJSA-N
MW285.42 g/mol
LogP4.79
Rot. Bonds3

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

N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 19133249) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID19133249
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC1CCC(=NNc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3S/c1-12-7-9-14(10-8-12)18-19-16-17-15(11-20-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,19)/b18-14-
InChIKeyPXVGXDMYLCHKEL-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine (CID 19133249) is N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine is CC1CCC(=NNc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is PXVGXDMYLCHKEL-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12-7-9-14(10-8-12)18-19-16-17-15(11-20-16)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,19)/b18-14-.
What are the key properties of N-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
N-[(4-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-[(4-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 19133249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).