2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one

C17H17N3OS — CID 2800769

IUPAC2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCCCN(c1ccc(C)cc1)c1nc(=O)c2cccnc2s1
InChIInChI=1S/C17H17N3OS/c1-3-11-20(13-8-6-12(2)7-9-13)17-19-15(21)14-5-4-10-18-16(14)22-17/h4-10H,3,11H2,1-2H3
InChIKeyOQFMRRYLIVXDID-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one

2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 2800769) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID2800769
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCCCN(c1ccc(C)cc1)c1nc(=O)c2cccnc2s1
InChIInChI=1S/C17H17N3OS/c1-3-11-20(13-8-6-12(2)7-9-13)17-19-15(21)14-5-4-10-18-16(14)22-17/h4-10H,3,11H2,1-2H3
InChIKeyOQFMRRYLIVXDID-UHFFFAOYSA-N
XLogP3.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one (CID 2800769) is 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one is CCCN(c1ccc(C)cc1)c1nc(=O)c2cccnc2s1.
What is the InChIKey of 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is OQFMRRYLIVXDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-11-20(13-8-6-12(2)7-9-13)17-19-15(21)14-5-4-10-18-16(14)22-17/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 311.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-propylanilino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 2800769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).