1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone

C12H10ClNOS2 — CID 144908684

IUPAC1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Sc2c(C)cccc2Cl)s1
InChIInChI=1S/C12H10ClNOS2/c1-7-4-3-5-9(13)11(7)17-12-14-6-10(16-12)8(2)15/h3-6H,1-2H3
InChIKeyUGJFBEOLEMXNSX-UHFFFAOYSA-N
MW283.81 g/mol
LogP4.46
Rot. Bonds3

About 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone

1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone (PubChem CID 144908684) has the molecular formula C12H10ClNOS2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
PubChem CID144908684
Molecular FormulaC12H10ClNOS2
Molecular Weight283.81 g/mol
Exact Mass282.99
IUPAC Name1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Sc2c(C)cccc2Cl)s1
InChIInChI=1S/C12H10ClNOS2/c1-7-4-3-5-9(13)11(7)17-12-14-6-10(16-12)8(2)15/h3-6H,1-2H3
InChIKeyUGJFBEOLEMXNSX-UHFFFAOYSA-N
XLogP4.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone (CID 144908684) is 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(Sc2c(C)cccc2Cl)s1.
What is the InChIKey of 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is UGJFBEOLEMXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS2/c1-7-4-3-5-9(13)11(7)17-12-14-6-10(16-12)8(2)15/h3-6H,1-2H3.
What are the key properties of 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone?
1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 283.81 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 144908684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).