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

C11H9Cl2NOS — CID 742542

IUPAC5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one
SMILESCc1cc(-n2sc(Cl)c(C)c2=O)ccc1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-6-5-8(3-4-9(6)12)14-11(15)7(2)10(13)16-14/h3-5H,1-2H3
InChIKeyCYOXRSJAOKOHER-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.82
Rot. Bonds1

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

5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one (PubChem CID 742542) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one
PubChem CID742542
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one
SMILESCc1cc(-n2sc(Cl)c(C)c2=O)ccc1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-6-5-8(3-4-9(6)12)14-11(15)7(2)10(13)16-14/h3-5H,1-2H3
InChIKeyCYOXRSJAOKOHER-UHFFFAOYSA-N
XLogP3.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one?
The IUPAC name of 5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one (CID 742542) is 5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one.
What is the SMILES notation for 5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one?
The canonical SMILES for 5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one is Cc1cc(-n2sc(Cl)c(C)c2=O)ccc1Cl.
What is the InChIKey of 5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one?
The InChIKey is CYOXRSJAOKOHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c1-6-5-8(3-4-9(6)12)14-11(15)7(2)10(13)16-14/h3-5H,1-2H3.
What are the key properties of 5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one?
5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one has a molecular weight of 274.17 g/mol, XLogP of 3.82, 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-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one is sourced from PubChem (CID 742542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).