4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole

C10H6ClF2NS — CID 83158898

IUPAC4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole
SMILESCc1ccc(F)c(-c2nc(Cl)cs2)c1F
InChIInChI=1S/C10H6ClF2NS/c1-5-2-3-6(12)8(9(5)13)10-14-7(11)4-15-10/h2-4H,1H3
InChIKeyZWWDNPZQXPELGQ-UHFFFAOYSA-N
MW245.68 g/mol
LogP4.05
Rot. Bonds1

About 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole

4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole (PubChem CID 83158898) has the molecular formula C10H6ClF2NS and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole
PubChem CID83158898
Molecular FormulaC10H6ClF2NS
Molecular Weight245.68 g/mol
Exact Mass244.99
IUPAC Name4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole
SMILESCc1ccc(F)c(-c2nc(Cl)cs2)c1F
InChIInChI=1S/C10H6ClF2NS/c1-5-2-3-6(12)8(9(5)13)10-14-7(11)4-15-10/h2-4H,1H3
InChIKeyZWWDNPZQXPELGQ-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83158211
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 83158896
4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole
CID 83158562
4-chloro-2-(4-chlorophenyl)-1,3-thiazole
CID 83158200
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
4-chloro-2-(3-fluoro-5-methylphenyl)-1,3-thiazole
CID 83157998
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595356
2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole
CID 116892310
4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152809
3-chloro-4-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazole
CID 82823092
2-(1-chloroethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3,4-thiadiazole
CID 82819191
4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 116892268

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole (CID 83158898) is 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole is Cc1ccc(F)c(-c2nc(Cl)cs2)c1F.
What is the InChIKey of 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole?
The InChIKey is ZWWDNPZQXPELGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NS/c1-5-2-3-6(12)8(9(5)13)10-14-7(11)4-15-10/h2-4H,1H3.
What are the key properties of 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole?
4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole has a molecular weight of 245.68 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 83158898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).