3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

C15H10N2OS3 — CID 175450047

IUPAC3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C15H10N2OS3/c18-13-8-20-15(19)17(13)10-5-3-7-12-14(10)16-9-4-1-2-6-11(9)21-12/h1-7,16H,8H2
InChIKeyWOOAEMHNOLTDJI-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.26
Rot. Bonds1

About 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 175450047) has the molecular formula C15H10N2OS3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID175450047
Molecular FormulaC15H10N2OS3
Molecular Weight330.46 g/mol
Exact Mass330.00
IUPAC Name3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C15H10N2OS3/c18-13-8-20-15(19)17(13)10-5-3-7-12-14(10)16-9-4-1-2-6-11(9)21-12/h1-7,16H,8H2
InChIKeyWOOAEMHNOLTDJI-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 175450047) is 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1c1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WOOAEMHNOLTDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS3/c18-13-8-20-15(19)17(13)10-5-3-7-12-14(10)16-9-4-1-2-6-11(9)21-12/h1-7,16H,8H2.
What are the key properties of 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 330.46 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10H-phenothiazin-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 175450047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).