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

C11H8Cl2FNS — CID 176575523

IUPAC5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(-c2ccc(F)c(Cl)c2)c(Cl)s1
InChIInChI=1S/C11H8Cl2FNS/c1-2-9-15-10(11(13)16-9)6-3-4-8(14)7(12)5-6/h3-5H,2H2,1H3
InChIKeyXTERGLTUXCTRKH-UHFFFAOYSA-N
MW276.16 g/mol
LogP4.82
Rot. Bonds2

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

5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole (PubChem CID 176575523) has the molecular formula C11H8Cl2FNS and a molecular weight of 276.16 g/mol. Its IUPAC name is 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole
PubChem CID176575523
Molecular FormulaC11H8Cl2FNS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC Name5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(-c2ccc(F)c(Cl)c2)c(Cl)s1
InChIInChI=1S/C11H8Cl2FNS/c1-2-9-15-10(11(13)16-9)6-3-4-8(14)7(12)5-6/h3-5H,2H2,1H3
InChIKeyXTERGLTUXCTRKH-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole?
The IUPAC name of 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole (CID 176575523) is 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole?
The canonical SMILES for 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole is CCc1nc(-c2ccc(F)c(Cl)c2)c(Cl)s1.
What is the InChIKey of 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole?
The InChIKey is XTERGLTUXCTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FNS/c1-2-9-15-10(11(13)16-9)6-3-4-8(14)7(12)5-6/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole?
5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole has a molecular weight of 276.16 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole is sourced from PubChem (CID 176575523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).