2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one

C15H11N3O2S — CID 1094076

IUPAC2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCC(=O)c1ccc(Nc2nc(=O)c3cccnc3s2)cc1
InChIInChI=1S/C15H11N3O2S/c1-9(19)10-4-6-11(7-5-10)17-15-18-13(20)12-3-2-8-16-14(12)21-15/h2-8H,1H3,(H,17,18,20)
InChIKeyXQQOOTQGWLYPAW-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one

2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 1094076) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID1094076
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCC(=O)c1ccc(Nc2nc(=O)c3cccnc3s2)cc1
InChIInChI=1S/C15H11N3O2S/c1-9(19)10-4-6-11(7-5-10)17-15-18-13(20)12-3-2-8-16-14(12)21-15/h2-8H,1H3,(H,17,18,20)
InChIKeyXQQOOTQGWLYPAW-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44344734
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CID 135495510
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CID 1259240
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CID 9997084
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CID 10360451
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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one (CID 1094076) is 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one is CC(=O)c1ccc(Nc2nc(=O)c3cccnc3s2)cc1.
What is the InChIKey of 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is XQQOOTQGWLYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-9(19)10-4-6-11(7-5-10)17-15-18-13(20)12-3-2-8-16-14(12)21-15/h2-8H,1H3,(H,17,18,20).
What are the key properties of 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 297.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 1094076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).