3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C17H18N2OS2 — CID 68681939

IUPAC3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCCC2CCCC=C21
InChIInChI=1S/C17H18N2OS2/c20-17(14-11-22-16(18-14)13-7-9-21-10-13)19-8-3-5-12-4-1-2-6-15(12)19/h6-7,9-12H,1-5,8H2
InChIKeyUKPYQKWLZXFIDI-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.79
Rot. Bonds2

About 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 68681939) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID68681939
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCCC2CCCC=C21
InChIInChI=1S/C17H18N2OS2/c20-17(14-11-22-16(18-14)13-7-9-21-10-13)19-8-3-5-12-4-1-2-6-15(12)19/h6-7,9-12H,1-5,8H2
InChIKeyUKPYQKWLZXFIDI-UHFFFAOYSA-N
XLogP4.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone 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

1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 56821389
N-(2-ethoxybenzyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 53037019
(4-((4-Phenylthiazol-2-yl)methyl)piperazin-1-yl)(thiophen-2-yl)methanone hydrochloride
CID 71780246
[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 33168532
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methanone
CID 68681297
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9091249
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 17464631
2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 18098005
N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 34153095
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 34153101
(E)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 45538053
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 45859799

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 68681939) is 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccsc2)n1)N1CCCC2CCCC=C21.
What is the InChIKey of 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is UKPYQKWLZXFIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c20-17(14-11-22-16(18-14)13-7-9-21-10-13)19-8-3-5-12-4-1-2-6-15(12)19/h6-7,9-12H,1-5,8H2.
What are the key properties of 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 330.48 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 68681939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).