1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

C15H11ClN2OS — CID 115960154

IUPAC1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Cl)c3cccnc23)nc1C
InChIInChI=1S/C15H11ClN2OS/c1-8-14(9(2)19)20-15(18-8)11-5-6-12(16)10-4-3-7-17-13(10)11/h3-7H,1-2H3
InChIKeyVHJLIJOJPKSRRB-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.52
Rot. Bonds2

About 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 115960154) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID115960154
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Cl)c3cccnc23)nc1C
InChIInChI=1S/C15H11ClN2OS/c1-8-14(9(2)19)20-15(18-8)11-5-6-12(16)10-4-3-7-17-13(10)11/h3-7H,1-2H3
InChIKeyVHJLIJOJPKSRRB-UHFFFAOYSA-N
XLogP4.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115959776
1-[2-(4-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55181555
1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62699422
1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
CID 116785285
[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
CID 112618307
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone
CID 116785248
methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115959773
2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
CID 112618431
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745206
1-(5-chloroquinolin-8-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115960088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 115960154) is 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(Cl)c3cccnc23)nc1C.
What is the InChIKey of 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is VHJLIJOJPKSRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-8-14(9(2)19)20-15(18-8)11-5-6-12(16)10-4-3-7-17-13(10)11/h3-7H,1-2H3.
What are the key properties of 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 302.79 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 115960154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).