5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one

C18H19NOS — CID 79826373

IUPAC5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(Cc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C18H19NOS/c1-18(2)10-13(8-15(20)11-18)9-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-8,12H,9-11H2,1-2H3
InChIKeyWYMCGICUQGADLZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.67
Rot. Bonds3

About 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one

5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one (PubChem CID 79826373) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one
PubChem CID79826373
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(Cc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C18H19NOS/c1-18(2)10-13(8-15(20)11-18)9-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-8,12H,9-11H2,1-2H3
InChIKeyWYMCGICUQGADLZ-UHFFFAOYSA-N
XLogP4.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-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

5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-amine
CID 79826392
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79827658
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
3,3-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)imino]cyclohexan-1-one
CID 611911
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817395
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one (CID 79826373) is 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(Cc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one?
The InChIKey is WYMCGICUQGADLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-18(2)10-13(8-15(20)11-18)9-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-8,12H,9-11H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one?
5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one has a molecular weight of 297.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 79826373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).