2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone

C15H15F2NOS — CID 79820414

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone
SMILESCC(C)(C)c1csc(CC(=O)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C15H15F2NOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)9-4-10(16)6-11(17)5-9/h4-6,8H,7H2,1-3H3
InChIKeyNDLMHTHKZMRPJP-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.14
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone (PubChem CID 79820414) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone
PubChem CID79820414
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone
SMILESCC(C)(C)c1csc(CC(=O)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C15H15F2NOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)9-4-10(16)6-11(17)5-9/h4-6,8H,7H2,1-3H3
InChIKeyNDLMHTHKZMRPJP-UHFFFAOYSA-N
XLogP4.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)propan-2-one
CID 79827680
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 79820179
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115787104
1-[4-[2-(4-tert-butyl-1,3-thiazol-2-yl)acetyl]phenyl]propan-2-one
CID 149310897
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 115787127
1-[4-(2-aminoethyl)phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116577689
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848025
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79820339
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone (CID 79820414) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone is CC(C)(C)c1csc(CC(=O)c2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone?
The InChIKey is NDLMHTHKZMRPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)9-4-10(16)6-11(17)5-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone has a molecular weight of 295.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 79820414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).