2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole

C10H6Cl2FNS — CID 116968150

IUPAC2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
SMILESCc1cc(Cl)c(-c2csc(Cl)n2)cc1F
InChIInChI=1S/C10H6Cl2FNS/c1-5-2-7(11)6(3-8(5)13)9-4-15-10(12)14-9/h2-4H,1H3
InChIKeyJCTJDIDXUDKTJW-UHFFFAOYSA-N
MW262.14 g/mol
LogP4.56
Rot. Bonds1

About 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole

2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole (PubChem CID 116968150) has the molecular formula C10H6Cl2FNS and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
PubChem CID116968150
Molecular FormulaC10H6Cl2FNS
Molecular Weight262.14 g/mol
Exact Mass260.96
IUPAC Name2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
SMILESCc1cc(Cl)c(-c2csc(Cl)n2)cc1F
InChIInChI=1S/C10H6Cl2FNS/c1-5-2-7(11)6(3-8(5)13)9-4-15-10(12)14-9/h2-4H,1H3
InChIKeyJCTJDIDXUDKTJW-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole (CID 116968150) is 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole is Cc1cc(Cl)c(-c2csc(Cl)n2)cc1F.
What is the InChIKey of 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole?
The InChIKey is JCTJDIDXUDKTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNS/c1-5-2-7(11)6(3-8(5)13)9-4-15-10(12)14-9/h2-4H,1H3.
What are the key properties of 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole?
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole has a molecular weight of 262.14 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 116968150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).