3-(difluoromethyl)-1,3-thiazol-2-one

C4H3F2NOS — CID 15171125

IUPAC3-(difluoromethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1C(F)F
InChIInChI=1S/C4H3F2NOS/c5-3(6)7-1-2-9-4(7)8/h1-3H
InChIKeyJYGBTLSFOJCOIF-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.30
Rot. Bonds1

About 3-(difluoromethyl)-1,3-thiazol-2-one

3-(difluoromethyl)-1,3-thiazol-2-one (PubChem CID 15171125) has the molecular formula C4H3F2NOS and a molecular weight of 151.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1,3-thiazol-2-one
PubChem CID15171125
Molecular FormulaC4H3F2NOS
Molecular Weight151.14 g/mol
Exact Mass150.99
IUPAC Name3-(difluoromethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1C(F)F
InChIInChI=1S/C4H3F2NOS/c5-3(6)7-1-2-9-4(7)8/h1-3H
InChIKeyJYGBTLSFOJCOIF-UHFFFAOYSA-N
XLogP1.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(difluoromethyl)-1,3-thiazol-2-one (CID 15171125) is 3-(difluoromethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(difluoromethyl)-1,3-thiazol-2-one is O=c1sccn1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1,3-thiazol-2-one?
The InChIKey is JYGBTLSFOJCOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NOS/c5-3(6)7-1-2-9-4(7)8/h1-3H.
What are the key properties of 3-(difluoromethyl)-1,3-thiazol-2-one?
3-(difluoromethyl)-1,3-thiazol-2-one has a molecular weight of 151.14 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 15171125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).