10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde

C19H15NOS2 — CID 132511362

IUPAC10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde
SMILESCCN1c2ccc(C=O)cc2Sc2cc(-c3ccsc3)ccc21
InChIInChI=1S/C19H15NOS2/c1-2-20-16-5-3-13(11-21)9-18(16)23-19-10-14(4-6-17(19)20)15-7-8-22-12-15/h3-12H,2H2,1H3
InChIKeyWLQWLHCSLCQYNY-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.85
Rot. Bonds3

About 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde

10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde (PubChem CID 132511362) has the molecular formula C19H15NOS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde.

Molecular Properties

Compound Name10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde
PubChem CID132511362
Molecular FormulaC19H15NOS2
Molecular Weight337.47 g/mol
Exact Mass337.06
IUPAC Name10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde
SMILESCCN1c2ccc(C=O)cc2Sc2cc(-c3ccsc3)ccc21
InChIInChI=1S/C19H15NOS2/c1-2-20-16-5-3-13(11-21)9-18(16)23-19-10-14(4-6-17(19)20)15-7-8-22-12-15/h3-12H,2H2,1H3
InChIKeyWLQWLHCSLCQYNY-UHFFFAOYSA-N
XLogP5.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde 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

10-hexyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde
CID 132511357
10-ethylphenoxazine-3,7-dicarbaldehyde
CID 18704481
2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
CID 58922228
2-ethoxy-5-thiophen-3-ylbenzaldehyde
CID 172650297
3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde
CID 19390188
2,2-dimethyl-3-oxo-4-propyl-1,4-benzothiazine-7-carbaldehyde
CID 84616055
1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone
CID 86059612
(E)-2-cyano-3-[10-ethyl-7-(4-octoxyphenyl)phenothiazin-3-yl]prop-2-enoic acid
CID 102528085
2-cyano-3-(10-ethylphenothiazin-3-yl)prop-2-enamide
CID 157467296
10-ethylphenothiazine-3,7-dicarbonitrile
CID 102137562
3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde
CID 2319777
1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 145488236

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde?
The IUPAC name of 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde (CID 132511362) is 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde.
What is the SMILES notation for 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde?
The canonical SMILES for 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde is CCN1c2ccc(C=O)cc2Sc2cc(-c3ccsc3)ccc21.
What is the InChIKey of 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde?
The InChIKey is WLQWLHCSLCQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS2/c1-2-20-16-5-3-13(11-21)9-18(16)23-19-10-14(4-6-17(19)20)15-7-8-22-12-15/h3-12H,2H2,1H3.
What are the key properties of 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde?
10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde has a molecular weight of 337.47 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-7-thiophen-3-ylphenothiazine-3-carbaldehyde is sourced from PubChem (CID 132511362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).