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

C20H15N3O2S — CID 1258664

IUPAC2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESO=c1nc(Nc2ccc(OCc3ccccc3)cc2)sc2ncccc12
InChIInChI=1S/C20H15N3O2S/c24-18-17-7-4-12-21-19(17)26-20(23-18)22-15-8-10-16(11-9-15)25-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24)
InChIKeyZKBCZWVZUYRBJL-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.37
Rot. Bonds5

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

2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 1258664) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID1258664
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESO=c1nc(Nc2ccc(OCc3ccccc3)cc2)sc2ncccc12
InChIInChI=1S/C20H15N3O2S/c24-18-17-7-4-12-21-19(17)26-20(23-18)22-15-8-10-16(11-9-15)25-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24)
InChIKeyZKBCZWVZUYRBJL-UHFFFAOYSA-N
XLogP4.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one (CID 1258664) is 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one is O=c1nc(Nc2ccc(OCc3ccccc3)cc2)sc2ncccc12.
What is the InChIKey of 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is ZKBCZWVZUYRBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-18-17-7-4-12-21-19(17)26-20(23-18)22-15-8-10-16(11-9-15)25-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24).
What are the key properties of 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 361.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 1258664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).