1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone

C12H9F2NOS2 — CID 144908685

IUPAC1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C)c(Sc2cccc(F)c2F)s1
InChIInChI=1S/C12H9F2NOS2/c1-6-12(18-11(15-6)7(2)16)17-9-5-3-4-8(13)10(9)14/h3-5H,1-2H3
InChIKeyDMGYDSVBZRYSMY-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.08
Rot. Bonds3

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

1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone (PubChem CID 144908685) has the molecular formula C12H9F2NOS2 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone
PubChem CID144908685
Molecular FormulaC12H9F2NOS2
Molecular Weight285.34 g/mol
Exact Mass285.01
IUPAC Name1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C)c(Sc2cccc(F)c2F)s1
InChIInChI=1S/C12H9F2NOS2/c1-6-12(18-11(15-6)7(2)16)17-9-5-3-4-8(13)10(9)14/h3-5H,1-2H3
InChIKeyDMGYDSVBZRYSMY-UHFFFAOYSA-N
XLogP4.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone (CID 144908685) is 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(C)c(Sc2cccc(F)c2F)s1.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone?
The InChIKey is DMGYDSVBZRYSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS2/c1-6-12(18-11(15-6)7(2)16)17-9-5-3-4-8(13)10(9)14/h3-5H,1-2H3.
What are the key properties of 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone?
1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone has a molecular weight of 285.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 144908685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).