1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one

C12H9ClFNOS — CID 116890262

IUPAC1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C12H9ClFNOS/c1-7(16)4-9-6-17-12(15-9)10-5-8(13)2-3-11(10)14/h2-3,5-6H,4H2,1H3
InChIKeyKZFJXJFUDFNAAZ-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.73
Rot. Bonds3

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

1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one (PubChem CID 116890262) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
PubChem CID116890262
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C12H9ClFNOS/c1-7(16)4-9-6-17-12(15-9)10-5-8(13)2-3-11(10)14/h2-3,5-6H,4H2,1H3
InChIKeyKZFJXJFUDFNAAZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890267
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
1-[2-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890244
2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891997
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
2-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 11977922
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 158428908
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-ynylacetamide
CID 49015977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one (CID 116890262) is 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one is CC(=O)Cc1csc(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is KZFJXJFUDFNAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-7(16)4-9-6-17-12(15-9)10-5-8(13)2-3-11(10)14/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one has a molecular weight of 269.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 116890262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).