2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone

C16H18FNO2S — CID 115787104

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2nc(C(C)(C)C)cs2)ccc1F
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)14-9-21-15(18-14)8-12(19)10-5-6-11(17)13(7-10)20-4/h5-7,9H,8H2,1-4H3
InChIKeyYCZOKAVEJPNESR-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone (PubChem CID 115787104) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
PubChem CID115787104
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2nc(C(C)(C)C)cs2)ccc1F
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)14-9-21-15(18-14)8-12(19)10-5-6-11(17)13(7-10)20-4/h5-7,9H,8H2,1-4H3
InChIKeyYCZOKAVEJPNESR-UHFFFAOYSA-N
XLogP4.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 79820414
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 79820179
1-[4-(2-aminoethyl)phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116577689
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-ethylsulfanylphenyl)ethanone
CID 106848025
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 115787127
2-(1-benzothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114965683
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 107922554
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone (CID 115787104) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone is COc1cc(C(=O)Cc2nc(C(C)(C)C)cs2)ccc1F.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is YCZOKAVEJPNESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-16(2,3)14-9-21-15(18-14)8-12(19)10-5-6-11(17)13(7-10)20-4/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 307.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 115787104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).