3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one

C10H7F2NOS — CID 115659281

IUPAC3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one
SMILESO=c1sccn1Cc1cc(F)ccc1F
InChIInChI=1S/C10H7F2NOS/c11-8-1-2-9(12)7(5-8)6-13-3-4-15-10(13)14/h1-5H,6H2
InChIKeyYUPBFCDZDOTGHZ-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.24
Rot. Bonds2

About 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one

3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one (PubChem CID 115659281) has the molecular formula C10H7F2NOS and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one
PubChem CID115659281
Molecular FormulaC10H7F2NOS
Molecular Weight227.24 g/mol
Exact Mass227.02
IUPAC Name3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one
SMILESO=c1sccn1Cc1cc(F)ccc1F
InChIInChI=1S/C10H7F2NOS/c11-8-1-2-9(12)7(5-8)6-13-3-4-15-10(13)14/h1-5H,6H2
InChIKeyYUPBFCDZDOTGHZ-UHFFFAOYSA-N
XLogP2.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one (CID 115659281) is 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one is O=c1sccn1Cc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one?
The InChIKey is YUPBFCDZDOTGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NOS/c11-8-1-2-9(12)7(5-8)6-13-3-4-15-10(13)14/h1-5H,6H2.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one?
3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one has a molecular weight of 227.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115659281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).