1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone

C14H14N2OS — CID 116598213

IUPAC1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCNc2ccccc21
InChIInChI=1S/C14H14N2OS/c17-14(7-10-8-15-9-18-10)12-5-6-16-13-4-2-1-3-11(12)13/h1-4,8-9,12,16H,5-7H2
InChIKeyMTHJCFSKHZFLGN-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.85
Rot. Bonds3

About 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 116598213) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID116598213
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCNc2ccccc21
InChIInChI=1S/C14H14N2OS/c17-14(7-10-8-15-9-18-10)12-5-6-16-13-4-2-1-3-11(12)13/h1-4,8-9,12,16H,5-7H2
InChIKeyMTHJCFSKHZFLGN-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642467
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598228
2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116594673
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
N-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 103006626
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 107004005
1-(4-ethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642350
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642357

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 116598213) is 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)C1CCNc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is MTHJCFSKHZFLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(7-10-8-15-9-18-10)12-5-6-16-13-4-2-1-3-11(12)13/h1-4,8-9,12,16H,5-7H2.
What are the key properties of 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 258.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 116598213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).