4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one

C13H11F2NOS — CID 82123007

IUPAC4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one
SMILESCC(=O)CCc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C13H11F2NOS/c1-8(17)2-5-13-16-12(7-18-13)10-6-9(14)3-4-11(10)15/h3-4,6-7H,2,5H2,1H3
InChIKeyZOJIGNSOYIPIAC-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.61
Rot. Bonds4

About 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one

4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one (PubChem CID 82123007) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one
PubChem CID82123007
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one
SMILESCC(=O)CCc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C13H11F2NOS/c1-8(17)2-5-13-16-12(7-18-13)10-6-9(14)3-4-11(10)15/h3-4,6-7H,2,5H2,1H3
InChIKeyZOJIGNSOYIPIAC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate
CID 28839535
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966432
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964955
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one
CID 116966479
N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55129663
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2475630
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94281595
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]butanoic acid
CID 114263364
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 82969419

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one?
The IUPAC name of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one (CID 82123007) is 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one.
What is the SMILES notation for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one?
The canonical SMILES for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one is CC(=O)CCc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one?
The InChIKey is ZOJIGNSOYIPIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c1-8(17)2-5-13-16-12(7-18-13)10-6-9(14)3-4-11(10)15/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one?
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one has a molecular weight of 267.30 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one is sourced from PubChem (CID 82123007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).