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

C4HCl2F2NS — CID 15646852

IUPAC2,5-dichloro-4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1nc(Cl)sc1Cl
InChIInChI=1S/C4HCl2F2NS/c5-2-1(3(7)8)9-4(6)10-2/h3H
InChIKeyZADSNOWOEWRUDZ-UHFFFAOYSA-N
MW204.03 g/mol
LogP3.39
Rot. Bonds1

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

2,5-dichloro-4-(difluoromethyl)-1,3-thiazole (PubChem CID 15646852) has the molecular formula C4HCl2F2NS and a molecular weight of 204.03 g/mol. Its IUPAC name is 2,5-dichloro-4-(difluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dichloro-4-(difluoromethyl)-1,3-thiazole
PubChem CID15646852
Molecular FormulaC4HCl2F2NS
Molecular Weight204.03 g/mol
Exact Mass202.92
IUPAC Name2,5-dichloro-4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1nc(Cl)sc1Cl
InChIInChI=1S/C4HCl2F2NS/c5-2-1(3(7)8)9-4(6)10-2/h3H
InChIKeyZADSNOWOEWRUDZ-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 53.39
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-(difluoromethyl)-1,3-thiazole?
The IUPAC name of 2,5-dichloro-4-(difluoromethyl)-1,3-thiazole (CID 15646852) is 2,5-dichloro-4-(difluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dichloro-4-(difluoromethyl)-1,3-thiazole?
The canonical SMILES for 2,5-dichloro-4-(difluoromethyl)-1,3-thiazole is FC(F)c1nc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-4-(difluoromethyl)-1,3-thiazole?
The InChIKey is ZADSNOWOEWRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2F2NS/c5-2-1(3(7)8)9-4(6)10-2/h3H.
What are the key properties of 2,5-dichloro-4-(difluoromethyl)-1,3-thiazole?
2,5-dichloro-4-(difluoromethyl)-1,3-thiazole has a molecular weight of 204.03 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(difluoromethyl)-1,3-thiazole is sourced from PubChem (CID 15646852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).