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

C10H8ClNOS2 — CID 130778856

IUPAC1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2sccc2Cl)sc1C
InChIInChI=1S/C10H8ClNOS2/c1-5(13)8-6(2)15-10(12-8)9-7(11)3-4-14-9/h3-4H,1-2H3
InChIKeyNGQHUQZZUFRIEJ-UHFFFAOYSA-N
MW257.77 g/mol
LogP4.04
Rot. Bonds2

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

1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone (PubChem CID 130778856) has the molecular formula C10H8ClNOS2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone
PubChem CID130778856
Molecular FormulaC10H8ClNOS2
Molecular Weight257.77 g/mol
Exact Mass256.97
IUPAC Name1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2sccc2Cl)sc1C
InChIInChI=1S/C10H8ClNOS2/c1-5(13)8-6(2)15-10(12-8)9-7(11)3-4-14-9/h3-4H,1-2H3
InChIKeyNGQHUQZZUFRIEJ-UHFFFAOYSA-N
XLogP4.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone
CID 107360534
3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole
CID 102944112
methyl 2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306371
2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103442921
2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
CID 107360951
1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone
CID 107360532
2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953780
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103408838
methyl 2-(2-bromo-5-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306372
ethyl 2-(3-chlorothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80641084

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone (CID 130778856) is 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(-c2sccc2Cl)sc1C.
What is the InChIKey of 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone?
The InChIKey is NGQHUQZZUFRIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS2/c1-5(13)8-6(2)15-10(12-8)9-7(11)3-4-14-9/h3-4H,1-2H3.
What are the key properties of 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone?
1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone has a molecular weight of 257.77 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 130778856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).