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

C6H6ClNOS — CID 57190392

IUPAC1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Cl)nc1C
InChIInChI=1S/C6H6ClNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3
InChIKeyJBKAOWGYPFNURU-UHFFFAOYSA-N
MW175.64 g/mol
LogP2.31
Rot. Bonds1

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

1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 57190392) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID57190392
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Cl)nc1C
InChIInChI=1S/C6H6ClNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3
InChIKeyJBKAOWGYPFNURU-UHFFFAOYSA-N
XLogP2.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone (CID 57190392) is 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(Cl)nc1C.
What is the InChIKey of 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is JBKAOWGYPFNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3.
What are the key properties of 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone?
1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 175.64 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 57190392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).