1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone

C16H19NOS — CID 79816848

IUPAC1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H19NOS/c1-11(18)13-8-6-5-7-12(13)9-15-17-14(10-19-15)16(2,3)4/h5-8,10H,9H2,1-4H3
InChIKeyTWGQBYFBSNEYLB-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.23
Rot. Bonds3

About 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone

1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone (PubChem CID 79816848) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone
PubChem CID79816848
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H19NOS/c1-11(18)13-8-6-5-7-12(13)9-15-17-14(10-19-15)16(2,3)4/h5-8,10H,9H2,1-4H3
InChIKeyTWGQBYFBSNEYLB-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylbenzoic acid
CID 81476230
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-one
CID 116563946
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
1-(1-benzothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 115787084
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101733
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
CID 79820321
3-(benzenesulfonyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 58198639
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 105118402
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
1-(4-tert-butyl-1,3-thiazol-2-yl)decan-2-one
CID 115786938

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone (CID 79816848) is 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone is CC(=O)c1ccccc1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone?
The InChIKey is TWGQBYFBSNEYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11(18)13-8-6-5-7-12(13)9-15-17-14(10-19-15)16(2,3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone?
1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone has a molecular weight of 273.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 79816848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).