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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Related Compounds

3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one
CID 64769407
4-fluoro-2-[(2-oxo-1,3-thiazol-3-yl)methyl]benzenecarbothioamide
CID 64765617
3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one
CID 115646822
3-[5-fluoro-2-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]prop-2-enoic acid
CID 76990361
3-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]-1,3-thiazol-2-one
CID 55206177
3-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1,3-thiazol-2-one
CID 63312367
1-[(2,5-difluorophenyl)methyl]-5-iodopyridin-2-one
CID 79785122
1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
CID 95917593
5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one
CID 80501995
1-[(2,5-difluorophenyl)methyl]-6-[1-[(2,5-difluorophenyl)methyl]indol-6-yl]indole
CID 56851726
2-ethyl-1,4-difluorobenzene
CID 23202513
5-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 155977230

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).