5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one

C10H7Cl2NOS — CID 759209

IUPAC5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one
SMILESCc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C10H7Cl2NOS/c1-6-9(12)15-13(10(6)14)8-4-2-7(11)3-5-8/h2-5H,1H3
InChIKeyNCUQEDWZGMYONC-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.51
Rot. Bonds1

About 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one

5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one (PubChem CID 759209) has the molecular formula C10H7Cl2NOS and a molecular weight of 260.15 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one
PubChem CID759209
Molecular FormulaC10H7Cl2NOS
Molecular Weight260.15 g/mol
Exact Mass258.96
IUPAC Name5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one
SMILESCc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C10H7Cl2NOS/c1-6-9(12)15-13(10(6)14)8-4-2-7(11)3-5-8/h2-5H,1H3
InChIKeyNCUQEDWZGMYONC-UHFFFAOYSA-N
XLogP3.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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LY266500
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5-(4-Chloroanilino)-3-oxo-4-isothiazolecarbonitrile
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2-(3-chloro-2-fluorophenyl)isothiazol-3(2H)-one
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Acetamide, N-(4-chlorophenyl)-2-mercapto-
CID 7587068
2-(3-Chlorophenyl)-2,3-dihydro-1,2-thiazol-3-one
CID 13017476
Propanamide, N-(4-chlorophenyl)-2,2-dimethyl-
CID 182511
5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3(2H)-one
CID 742542
N-(4-Chlorophenyl)butanamide
CID 346256

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one (CID 759209) is 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one is Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one?
The InChIKey is NCUQEDWZGMYONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NOS/c1-6-9(12)15-13(10(6)14)8-4-2-7(11)3-5-8/h2-5H,1H3.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one?
5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one has a molecular weight of 260.15 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-4-methyl-1,2-thiazol-3-one is sourced from PubChem (CID 759209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).