1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one

C13H11F2NOS — CID 116886434

IUPAC1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1sc(-c2cc(F)ccc2F)nc1C
InChIInChI=1S/C13H11F2NOS/c1-7(17)5-12-8(2)16-13(18-12)10-6-9(14)3-4-11(10)15/h3-4,6H,5H2,1-2H3
InChIKeyFVNQYNWPZXXEIN-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.53
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one

1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one (PubChem CID 116886434) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
PubChem CID116886434
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1sc(-c2cc(F)ccc2F)nc1C
InChIInChI=1S/C13H11F2NOS/c1-7(17)5-12-8(2)16-13(18-12)10-6-9(14)3-4-11(10)15/h3-4,6H,5H2,1-2H3
InChIKeyFVNQYNWPZXXEIN-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82301236
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886180
2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
CID 116885355
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970138
N-[[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114895360
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360286
2-[2-(2,5-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065142
N-[[2-(2-fluoro-5-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107932011

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one (CID 116886434) is 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one is CC(=O)Cc1sc(-c2cc(F)ccc2F)nc1C.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is FVNQYNWPZXXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c1-7(17)5-12-8(2)16-13(18-12)10-6-9(14)3-4-11(10)15/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 267.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 116886434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).