2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone

C18H17NOS — CID 28934993

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C18H17NOS/c1-11-8-12(2)18(13(3)9-11)15(20)10-17-19-14-6-4-5-7-16(14)21-17/h4-9H,10H2,1-3H3
InChIKeyKOEIYFFTVUBNIF-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.65
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 28934993) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID28934993
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C18H17NOS/c1-11-8-12(2)18(13(3)9-11)15(20)10-17-19-14-6-4-5-7-16(14)21-17/h4-9H,10H2,1-3H3
InChIKeyKOEIYFFTVUBNIF-UHFFFAOYSA-N
XLogP4.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2438132
1-(2-amino-5-methylphenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116581404
2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63213569
2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone
CID 106754722
2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
CID 28934966
2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 43118449
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693
1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79818598
5-(1,3-benzothiazol-2-ylmethyl)-2-methylbenzoic acid
CID 79818498
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone (CID 28934993) is 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)Cc2nc3ccccc3s2)c(C)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is KOEIYFFTVUBNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-11-8-12(2)18(13(3)9-11)15(20)10-17-19-14-6-4-5-7-16(14)21-17/h4-9H,10H2,1-3H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 295.41 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 28934993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).