4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one

C18H13N3O3S2 — CID 1129344

IUPAC4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)cc(=O)[nH]1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H13N3O3S2/c22-15-9-16(23)20-18(19-15)25-10-17(24)21-11-5-1-3-7-13(11)26-14-8-4-2-6-12(14)21/h1-9H,10H2,(H2,19,20,22,23)
InChIKeyNNBPOXQYBFPHQK-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.40
Rot. Bonds3

About 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one

4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 1129344) has the molecular formula C18H13N3O3S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID1129344
Molecular FormulaC18H13N3O3S2
Molecular Weight383.45 g/mol
Exact Mass383.04
IUPAC Name4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)cc(=O)[nH]1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H13N3O3S2/c22-15-9-16(23)20-18(19-15)25-10-17(24)21-11-5-1-3-7-13(11)26-14-8-4-2-6-12(14)21/h1-9H,10H2,(H2,19,20,22,23)
InChIKeyNNBPOXQYBFPHQK-UHFFFAOYSA-N
XLogP3.40
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 1129344) is 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nc(O)cc(=O)[nH]1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is NNBPOXQYBFPHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S2/c22-15-9-16(23)20-18(19-15)25-10-17(24)21-11-5-1-3-7-13(11)26-14-8-4-2-6-12(14)21/h1-9H,10H2,(H2,19,20,22,23).
What are the key properties of 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 383.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 1129344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).