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

C13H11F2NOS — CID 62795128

IUPAC1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2cccc(F)c2F)n1
InChIInChI=1S/C13H11F2NOS/c1-8-7-18-12(16-8)6-10(17)5-9-3-2-4-11(14)13(9)15/h2-4,7H,5-6H2,1H3
InChIKeySMFZRTAXBZJECR-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.08
Rot. Bonds4

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

1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 62795128) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID62795128
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2cccc(F)c2F)n1
InChIInChI=1S/C13H11F2NOS/c1-8-7-18-12(16-8)6-10(17)5-9-3-2-4-11(14)13(9)15/h2-4,7H,5-6H2,1H3
InChIKeySMFZRTAXBZJECR-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796856
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796005
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
CID 131842856
CID 131842856
1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one
CID 62620288
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 62795128) is 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is Cc1csc(CC(=O)Cc2cccc(F)c2F)n1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is SMFZRTAXBZJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c1-8-7-18-12(16-8)6-10(17)5-9-3-2-4-11(14)13(9)15/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 267.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 62795128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).