4-phenothiazin-10-yl-5H-1,3-thiazol-2-one

C15H10N2OS2 — CID 14811787

IUPAC4-phenothiazin-10-yl-5H-1,3-thiazol-2-one
SMILESO=C1N=C(N2c3ccccc3Sc3ccccc32)CS1
InChIInChI=1S/C15H10N2OS2/c18-15-16-14(9-19-15)17-10-5-1-3-7-12(10)20-13-8-4-2-6-11(13)17/h1-8H,9H2
InChIKeyWGQGYAGQCOHMBE-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.55
Rot. Bonds

About 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one

4-phenothiazin-10-yl-5H-1,3-thiazol-2-one (PubChem CID 14811787) has the molecular formula C15H10N2OS2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-phenothiazin-10-yl-5H-1,3-thiazol-2-one
PubChem CID14811787
Molecular FormulaC15H10N2OS2
Molecular Weight298.39 g/mol
Exact Mass298.02
IUPAC Name4-phenothiazin-10-yl-5H-1,3-thiazol-2-one
SMILESO=C1N=C(N2c3ccccc3Sc3ccccc32)CS1
InChIInChI=1S/C15H10N2OS2/c18-15-16-14(9-19-15)17-10-5-1-3-7-12(10)20-13-8-4-2-6-11(13)17/h1-8H,9H2
InChIKeyWGQGYAGQCOHMBE-UHFFFAOYSA-N
XLogP4.55
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one?
The IUPAC name of 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one (CID 14811787) is 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one.
What is the SMILES notation for 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one?
The canonical SMILES for 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one is O=C1N=C(N2c3ccccc3Sc3ccccc32)CS1.
What is the InChIKey of 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one?
The InChIKey is WGQGYAGQCOHMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS2/c18-15-16-14(9-19-15)17-10-5-1-3-7-12(10)20-13-8-4-2-6-11(13)17/h1-8H,9H2.
What are the key properties of 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one?
4-phenothiazin-10-yl-5H-1,3-thiazol-2-one has a molecular weight of 298.39 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenothiazin-10-yl-5H-1,3-thiazol-2-one is sourced from PubChem (CID 14811787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).