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

C12H10ClF2NS — CID 176575544

IUPAC4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(-c2ccc(F)c(Cl)c2)c(F)s1
InChIInChI=1S/C12H10ClF2NS/c1-6(2)12-16-10(11(15)17-12)7-3-4-9(14)8(13)5-7/h3-6H,1-2H3
InChIKeyLKMZFJOKEZHXGS-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.87
Rot. Bonds2

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

4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole (PubChem CID 176575544) has the molecular formula C12H10ClF2NS and a molecular weight of 273.74 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole
PubChem CID176575544
Molecular FormulaC12H10ClF2NS
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(-c2ccc(F)c(Cl)c2)c(F)s1
InChIInChI=1S/C12H10ClF2NS/c1-6(2)12-16-10(11(15)17-12)7-3-4-9(14)8(13)5-7/h3-6H,1-2H3
InChIKeyLKMZFJOKEZHXGS-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole (CID 176575544) is 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(-c2ccc(F)c(Cl)c2)c(F)s1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole?
The InChIKey is LKMZFJOKEZHXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NS/c1-6(2)12-16-10(11(15)17-12)7-3-4-9(14)8(13)5-7/h3-6H,1-2H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole?
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole has a molecular weight of 273.74 g/mol, XLogP of 4.87, 2 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-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 176575544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).