1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one

C18H17NOS — CID 54284151

IUPAC1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one
SMILESCCN1C(=C(C(C)=O)c2ccccc2)Sc2ccccc21
InChIInChI=1S/C18H17NOS/c1-3-19-15-11-7-8-12-16(15)21-18(19)17(13(2)20)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKeyRSXMSCRZCNMONC-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.58
Rot. Bonds3

About 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one

1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one (PubChem CID 54284151) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one
PubChem CID54284151
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one
SMILESCCN1C(=C(C(C)=O)c2ccccc2)Sc2ccccc21
InChIInChI=1S/C18H17NOS/c1-3-19-15-11-7-8-12-16(15)21-18(19)17(13(2)20)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKeyRSXMSCRZCNMONC-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
CID 2061022
2-[[diphenylboranyl(phenyl)methylidene]amino]-4-(3-ethyl-1,3-benzothiazol-2-ylidene)hex-2-enoic acid
CID 173398193
4-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbut-2-enal
CID 793059
2-(3-ethyl-1,3-benzothiazol-2-ylidene)-N-phenylethanethioamide
CID 703550
(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-[3-(trichloromethyl)phenyl]ethanone
CID 70375342
(1Z)-1-(3-benzyl-1,3-benzothiazol-2-ylidene)propan-2-one
CID 10039378
1-[(2E)-2-(1-sulfanylethylidene)-1,3-benzothiazol-3-yl]ethanone
CID 163654376
N-benzyl-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-imine
CID 131666678
10-ethylphenothiazine-2-carbothioamide
CID 174550563
2-phenothiazin-10-ylacetate
CID 6988018
1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone
CID 86059612
3-methyl-1-phenothiazin-10-ylbutan-2-one
CID 79395572

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one?
The IUPAC name of 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one (CID 54284151) is 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one.
What is the SMILES notation for 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one?
The canonical SMILES for 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one is CCN1C(=C(C(C)=O)c2ccccc2)Sc2ccccc21.
What is the InChIKey of 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one?
The InChIKey is RSXMSCRZCNMONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-3-19-15-11-7-8-12-16(15)21-18(19)17(13(2)20)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one?
1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one has a molecular weight of 295.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one is sourced from PubChem (CID 54284151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).