2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole

C17H18N2S — CID 141161160

IUPAC2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole
SMILESCc1csc(C#Cc2ccc3c(n2)CCC(C)(C)C3)n1
InChIInChI=1S/C17H18N2S/c1-12-11-20-16(18-12)7-6-14-5-4-13-10-17(2,3)9-8-15(13)19-14/h4-5,11H,8-10H2,1-3H3
InChIKeyGVJZIJQUWJNXGL-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.76
Rot. Bonds

About 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole

2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole (PubChem CID 141161160) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole
PubChem CID141161160
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole
SMILESCc1csc(C#Cc2ccc3c(n2)CCC(C)(C)C3)n1
InChIInChI=1S/C17H18N2S/c1-12-11-20-16(18-12)7-6-14-5-4-13-10-17(2,3)9-8-15(13)19-14/h4-5,11H,8-10H2,1-3H3
InChIKeyGVJZIJQUWJNXGL-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole 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

2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-(4-Fluorophenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11500296
4-(4-Phenyl-1,3-thiazol-2-yl)-2-propylpyridine
CID 619958
2-(2-Methylphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662869
2-(Benzylsulfanyl)-6,6-dimethyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 851112
2-Methyl-6-(3-thiophen-2-yl-phenylethynyl)-pyridine
CID 44392418
3-(2-Methyl-thiazol-4-ylethynyl)-5-phenyl-pyridine
CID 44392945
4-[2-[6-(2-Fluoro-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16662195
4-[2-[6-(4-Fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16662196
2-Methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole
CID 16662197
4-[2-[6-(2-Ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16662198
4-[2-[6-(2,3-Dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16662261

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole (CID 141161160) is 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole is Cc1csc(C#Cc2ccc3c(n2)CCC(C)(C)C3)n1.
What is the InChIKey of 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole?
The InChIKey is GVJZIJQUWJNXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-11-20-16(18-12)7-6-14-5-4-13-10-17(2,3)9-8-15(13)19-14/h4-5,11H,8-10H2,1-3H3.
What are the key properties of 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole?
2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole has a molecular weight of 282.41 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,6-dimethyl-7,8-dihydro-5H-quinolin-2-yl)ethynyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 141161160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).