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

C14H11N3OS — CID 973891

IUPAC2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCc1ccc(Nc2nc(=O)c3cccnc3s2)cc1
InChIInChI=1S/C14H11N3OS/c1-9-4-6-10(7-5-9)16-14-17-12(18)11-3-2-8-15-13(11)19-14/h2-8H,1H3,(H,16,17,18)
InChIKeyUHVSTJKUHPUVGN-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.10
Rot. Bonds2

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

2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 973891) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID973891
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCc1ccc(Nc2nc(=O)c3cccnc3s2)cc1
InChIInChI=1S/C14H11N3OS/c1-9-4-6-10(7-5-9)16-14-17-12(18)11-3-2-8-15-13(11)19-14/h2-8H,1H3,(H,16,17,18)
InChIKeyUHVSTJKUHPUVGN-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1963150
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CID 2088327
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one (CID 973891) is 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one is Cc1ccc(Nc2nc(=O)c3cccnc3s2)cc1.
What is the InChIKey of 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is UHVSTJKUHPUVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-9-4-6-10(7-5-9)16-14-17-12(18)11-3-2-8-15-13(11)19-14/h2-8H,1H3,(H,16,17,18).
What are the key properties of 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 269.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 973891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).