N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C19H17N3O2S2 — CID 172645773

IUPACN-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCN1c2ccccc2Sc2cc(NC(=O)C=C3NC(=O)CS3)ccc21
InChIInChI=1S/C19H17N3O2S2/c1-2-22-13-5-3-4-6-15(13)26-16-9-12(7-8-14(16)22)20-17(23)10-19-21-18(24)11-25-19/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyYOFWQFGXSJSCQW-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.95
Rot. Bonds3

About N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 172645773) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID172645773
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCN1c2ccccc2Sc2cc(NC(=O)C=C3NC(=O)CS3)ccc21
InChIInChI=1S/C19H17N3O2S2/c1-2-22-13-5-3-4-6-15(13)26-16-9-12(7-8-14(16)22)20-17(23)10-19-21-18(24)11-25-19/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyYOFWQFGXSJSCQW-UHFFFAOYSA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 172645773) is N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is CCN1c2ccccc2Sc2cc(NC(=O)C=C3NC(=O)CS3)ccc21.
What is the InChIKey of N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is YOFWQFGXSJSCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-2-22-13-5-3-4-6-15(13)26-16-9-12(7-8-14(16)22)20-17(23)10-19-21-18(24)11-25-19/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 383.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-ethylphenothiazin-3-yl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 172645773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).