2-(3,4-difluorophenyl)-1,3-thiazol-4-one

C9H5F2NOS — CID 130501213

IUPAC2-(3,4-difluorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2)=N1
InChIInChI=1S/C9H5F2NOS/c10-6-2-1-5(3-7(6)11)9-12-8(13)4-14-9/h1-3H,4H2
InChIKeyGCUXLMCTEPRHJT-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.98
Rot. Bonds1

About 2-(3,4-difluorophenyl)-1,3-thiazol-4-one

2-(3,4-difluorophenyl)-1,3-thiazol-4-one (PubChem CID 130501213) has the molecular formula C9H5F2NOS and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1,3-thiazol-4-one
PubChem CID130501213
Molecular FormulaC9H5F2NOS
Molecular Weight213.21 g/mol
Exact Mass213.01
IUPAC Name2-(3,4-difluorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2)=N1
InChIInChI=1S/C9H5F2NOS/c10-6-2-1-5(3-7(6)11)9-12-8(13)4-14-9/h1-3H,4H2
InChIKeyGCUXLMCTEPRHJT-UHFFFAOYSA-N
XLogP1.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-1,3-thiazol-4-one (CID 130501213) is 2-(3,4-difluorophenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-1,3-thiazol-4-one is O=C1CSC(c2ccc(F)c(F)c2)=N1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1,3-thiazol-4-one?
The InChIKey is GCUXLMCTEPRHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NOS/c10-6-2-1-5(3-7(6)11)9-12-8(13)4-14-9/h1-3H,4H2.
What are the key properties of 2-(3,4-difluorophenyl)-1,3-thiazol-4-one?
2-(3,4-difluorophenyl)-1,3-thiazol-4-one has a molecular weight of 213.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 130501213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).