2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone

C15H12N2OS — CID 81220404

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
SMILESCc1csc(CC(=O)c2cccc3ncccc23)n1
InChIInChI=1S/C15H12N2OS/c1-10-9-19-15(17-10)8-14(18)12-4-2-6-13-11(12)5-3-7-16-13/h2-7,9H,8H2,1H3
InChIKeyHYMDGGCFRYRSTH-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone

2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone (PubChem CID 81220404) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
PubChem CID81220404
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
SMILESCc1csc(CC(=O)c2cccc3ncccc23)n1
InChIInChI=1S/C15H12N2OS/c1-10-9-19-15(17-10)8-14(18)12-4-2-6-13-11(12)5-3-7-16-13/h2-7,9H,8H2,1H3
InChIKeyHYMDGGCFRYRSTH-UHFFFAOYSA-N
XLogP3.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
1-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789307
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
CID 105121153
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 115789182
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
CID 81231313
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 105120682
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
(4-methyl-1,3-thiazol-2-yl)-quinolin-5-ylmethanol
CID 113451230
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone (CID 81220404) is 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone is Cc1csc(CC(=O)c2cccc3ncccc23)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone?
The InChIKey is HYMDGGCFRYRSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-9-19-15(17-10)8-14(18)12-4-2-6-13-11(12)5-3-7-16-13/h2-7,9H,8H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone?
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone has a molecular weight of 268.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone is sourced from PubChem (CID 81220404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).