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

C10H6ClF2NS — CID 176575416

IUPAC4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)c(Cl)c2)c(F)s1
InChIInChI=1S/C10H6ClF2NS/c1-5-14-9(10(13)15-5)6-2-3-8(12)7(11)4-6/h2-4H,1H3
InChIKeyFBIVDSRENZBFRL-UHFFFAOYSA-N
MW245.68 g/mol
LogP4.05
Rot. Bonds1

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

4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole (PubChem CID 176575416) has the molecular formula C10H6ClF2NS and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
PubChem CID176575416
Molecular FormulaC10H6ClF2NS
Molecular Weight245.68 g/mol
Exact Mass244.99
IUPAC Name4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)c(Cl)c2)c(F)s1
InChIInChI=1S/C10H6ClF2NS/c1-5-14-9(10(13)15-5)6-2-3-8(12)7(11)4-6/h2-4H,1H3
InChIKeyFBIVDSRENZBFRL-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-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
CID 113324801
CID 176575383
CID 176575383
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
CID 28710048
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
CID 81166723
4-chloro-6-(3-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
CID 115504473
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
CID 82106779
ethyl 5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylate
CID 70801639
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole (CID 176575416) is 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(F)c(Cl)c2)c(F)s1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole?
The InChIKey is FBIVDSRENZBFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NS/c1-5-14-9(10(13)15-5)6-2-3-8(12)7(11)4-6/h2-4H,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole?
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-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-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole is sourced from PubChem (CID 176575416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).