2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole

C4Cl2F3NS — CID 15646853

IUPAC2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(Cl)sc1Cl
InChIInChI=1S/C4Cl2F3NS/c5-2-1(4(7,8)9)10-3(6)11-2
InChIKeyGXOKCYXTYSIMNN-UHFFFAOYSA-N
MW222.02 g/mol
LogP3.47
Rot. Bonds

About 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole

2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 15646853) has the molecular formula C4Cl2F3NS and a molecular weight of 222.02 g/mol. Its IUPAC name is 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole
PubChem CID15646853
Molecular FormulaC4Cl2F3NS
Molecular Weight222.02 g/mol
Exact Mass220.91
IUPAC Name2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(Cl)sc1Cl
InChIInChI=1S/C4Cl2F3NS/c5-2-1(4(7,8)9)10-3(6)11-2
InChIKeyGXOKCYXTYSIMNN-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.02
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole (CID 15646853) is 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GXOKCYXTYSIMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F3NS/c5-2-1(4(7,8)9)10-3(6)11-2.
What are the key properties of 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole?
2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 222.02 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 15646853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).