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

C12H9F2NOS — CID 116966432

IUPAC1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C12H9F2NOS/c1-7(16)4-12-15-11(6-17-12)9-3-2-8(13)5-10(9)14/h2-3,5-6H,4H2,1H3
InChIKeyLFWXKWRFWZOSIG-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.22
Rot. Bonds3

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

1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one (PubChem CID 116966432) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
PubChem CID116966432
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C12H9F2NOS/c1-7(16)4-12-15-11(6-17-12)9-3-2-8(13)5-10(9)14/h2-3,5-6H,4H2,1H3
InChIKeyLFWXKWRFWZOSIG-UHFFFAOYSA-N
XLogP3.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one
CID 82123007
ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate
CID 28839535
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129516
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
CID 62543889
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
4-(2,4-difluorophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 19589589
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2475630
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63102442
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one (CID 116966432) is 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is LFWXKWRFWZOSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c1-7(16)4-12-15-11(6-17-12)9-3-2-8(13)5-10(9)14/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one?
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 253.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 116966432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).