4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole

C10H6ClF2NS2 — CID 83158313

IUPAC4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole
SMILESFC(F)Sc1ccc(-c2nc(Cl)cs2)cc1
InChIInChI=1S/C10H6ClF2NS2/c11-8-5-15-9(14-8)6-1-3-7(4-2-6)16-10(12)13/h1-5,10H
InChIKeyVKEQCVDDENCEJE-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.78
Rot. Bonds3

About 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole

4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole (PubChem CID 83158313) has the molecular formula C10H6ClF2NS2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole
PubChem CID83158313
Molecular FormulaC10H6ClF2NS2
Molecular Weight277.75 g/mol
Exact Mass276.96
IUPAC Name4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole
SMILESFC(F)Sc1ccc(-c2nc(Cl)cs2)cc1
InChIInChI=1S/C10H6ClF2NS2/c11-8-5-15-9(14-8)6-1-3-7(4-2-6)16-10(12)13/h1-5,10H
InChIKeyVKEQCVDDENCEJE-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole (CID 83158313) is 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole is FC(F)Sc1ccc(-c2nc(Cl)cs2)cc1.
What is the InChIKey of 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole?
The InChIKey is VKEQCVDDENCEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NS2/c11-8-5-15-9(14-8)6-1-3-7(4-2-6)16-10(12)13/h1-5,10H.
What are the key properties of 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole?
4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole has a molecular weight of 277.75 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 83158313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).