2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one

C17H15N3OS2 — CID 172645744

IUPAC2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one
SMILESCCN1c2ccccc2Sc2cc(/N=C3\NC(=O)CS3)ccc21
InChIInChI=1S/C17H15N3OS2/c1-2-20-12-5-3-4-6-14(12)23-15-9-11(7-8-13(15)20)18-17-19-16(21)10-22-17/h3-9H,2,10H2,1H3,(H,18,19,21)
InChIKeyPIABQTYMZYGWDB-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.16
Rot. Bonds2

About 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one

2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one (PubChem CID 172645744) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one
PubChem CID172645744
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one
SMILESCCN1c2ccccc2Sc2cc(/N=C3\NC(=O)CS3)ccc21
InChIInChI=1S/C17H15N3OS2/c1-2-20-12-5-3-4-6-14(12)23-15-9-11(7-8-13(15)20)18-17-19-16(21)10-22-17/h3-9H,2,10H2,1H3,(H,18,19,21)
InChIKeyPIABQTYMZYGWDB-UHFFFAOYSA-N
XLogP4.16
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-oxo-1,3-thiazol-2-yl)phenothiazine-10-carboxamide
CID 135449225
N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide
CID 135399084
2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1129344
N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-10H-phenothiazine-10-carboxamide
CID 135456876
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide
CID 2425682
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 135407989
N-(10-methylphenothiazin-3-yl)prop-2-enamide
CID 44825228
6-amino-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4(3H)-pyrimidinone
CID 135502719
6-Amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-prop-2-enylpyrimidin-4-one
CID 1316394
7-Anilino-4-propan-2-yl-1,4-benzothiazin-3-one
CID 3832422
7-Anilino-4-(4-methylpentan-2-yl)-1,4-benzothiazin-3-one
CID 3847326
7-Anilino-2-methyl-4-octan-2-yl-1,4-benzothiazin-3-one
CID 10948965

Frequently Asked Questions

What is the IUPAC name of 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one (CID 172645744) is 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one is CCN1c2ccccc2Sc2cc(/N=C3\NC(=O)CS3)ccc21.
What is the InChIKey of 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one?
The InChIKey is PIABQTYMZYGWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-2-20-12-5-3-4-6-14(12)23-15-9-11(7-8-13(15)20)18-17-19-16(21)10-22-17/h3-9H,2,10H2,1H3,(H,18,19,21).
What are the key properties of 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one?
2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one has a molecular weight of 341.46 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-ethylphenothiazin-3-yl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 172645744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).