(5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one

C18H21N3OS — CID 99641127

IUPAC(5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one
SMILESCc1ccc(-c2csc(N/N=C3\CC(=O)CC(C)(C)C3)n2)cc1
InChIInChI=1S/C18H21N3OS/c1-12-4-6-13(7-5-12)16-11-23-17(19-16)21-20-14-8-15(22)10-18(2,3)9-14/h4-7,11H,8-10H2,1-3H3,(H,19,21)/b20-14+
InChIKeyXAHIMLBWKGXLOL-XSFVSMFZSA-N
MW327.45 g/mol
LogP4.67
Rot. Bonds3

About (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one

(5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one (PubChem CID 99641127) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one
PubChem CID99641127
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name(5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one
SMILESCc1ccc(-c2csc(N/N=C3\CC(=O)CC(C)(C)C3)n2)cc1
InChIInChI=1S/C18H21N3OS/c1-12-4-6-13(7-5-12)16-11-23-17(19-16)21-20-14-8-15(22)10-18(2,3)9-14/h4-7,11H,8-10H2,1-3H3,(H,19,21)/b20-14+
InChIKeyXAHIMLBWKGXLOL-XSFVSMFZSA-N
XLogP4.67
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
3,3-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)imino]cyclohexan-1-one
CID 611911
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
N-[[(4-methylphenyl)-(4-nitrophenyl)methylidene]amino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 3315921
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
CID 11820967
4-(4-chlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]-1,3-thiazol-2-amine
CID 155524455
[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide
CID 16653105
4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
CID 23376404

Frequently Asked Questions

What is the IUPAC name of (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one?
The IUPAC name of (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one (CID 99641127) is (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one.
What is the SMILES notation for (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one?
The canonical SMILES for (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one is Cc1ccc(-c2csc(N/N=C3\CC(=O)CC(C)(C)C3)n2)cc1.
What is the InChIKey of (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one?
The InChIKey is XAHIMLBWKGXLOL-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-4-6-13(7-5-12)16-11-23-17(19-16)21-20-14-8-15(22)10-18(2,3)9-14/h4-7,11H,8-10H2,1-3H3,(H,19,21)/b20-14+.
What are the key properties of (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one?
(5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one has a molecular weight of 327.45 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,3-dimethyl-5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]cyclohexan-1-one is sourced from PubChem (CID 99641127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).