1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one

C12H9F2NOS — CID 112642259

IUPAC1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cc(F)cc(F)c1)Cc1cncs1
InChIInChI=1S/C12H9F2NOS/c13-9-1-8(2-10(14)4-9)3-11(16)5-12-6-15-7-17-12/h1-2,4,6-7H,3,5H2
InChIKeyZUVFDHLWOQVVMG-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.78
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one

1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 112642259) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID112642259
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cc(F)cc(F)c1)Cc1cncs1
InChIInChI=1S/C12H9F2NOS/c13-9-1-8(2-10(14)4-9)3-11(16)5-12-6-15-7-17-12/h1-2,4,6-7H,3,5H2
InChIKeyZUVFDHLWOQVVMG-UHFFFAOYSA-N
XLogP2.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642228
1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642220
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642213
1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65476457
1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642235
[1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105206643
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one (CID 112642259) is 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one is O=C(Cc1cc(F)cc(F)c1)Cc1cncs1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is ZUVFDHLWOQVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c13-9-1-8(2-10(14)4-9)3-11(16)5-12-6-15-7-17-12/h1-2,4,6-7H,3,5H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one?
1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 253.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 112642259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).