2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone

C17H15NOS — CID 28934966

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)Cc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H15NOS/c1-2-12-7-9-13(10-8-12)15(19)11-17-18-14-5-3-4-6-16(14)20-17/h3-10H,2,11H2,1H3
InChIKeyRRLLIOICKITHJC-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.28
Rot. Bonds4

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

2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone (PubChem CID 28934966) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
PubChem CID28934966
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)Cc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H15NOS/c1-2-12-7-9-13(10-8-12)15(19)11-17-18-14-5-3-4-6-16(14)20-17/h3-10H,2,11H2,1H3
InChIKeyRRLLIOICKITHJC-UHFFFAOYSA-N
XLogP4.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(5-bromofuran-2-yl)ethanone
CID 43118444
1-(3-amino-4-chlorophenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116552292
2-(1,3-benzothiazol-2-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 61033577
1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
CID 46267438
2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 28934993
1-[5-(aminomethyl)furan-2-yl]-2-(1,3-benzothiazol-2-yl)ethanone
CID 116590110
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693
1,3-benzothiazol-2-ylmethyl 4-(hydroxymethyl)benzoate
CID 2537834

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone (CID 28934966) is 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)Cc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone?
The InChIKey is RRLLIOICKITHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-2-12-7-9-13(10-8-12)15(19)11-17-18-14-5-3-4-6-16(14)20-17/h3-10H,2,11H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone has a molecular weight of 281.38 g/mol, XLogP of 4.28, 4 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-(4-ethylphenyl)ethanone is sourced from PubChem (CID 28934966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).