2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C13H12N4O2S — CID 118733045

IUPAC2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCOc1ccc(Nc2nc3c(=O)[nH]c(C)nc3s2)cc1
InChIInChI=1S/C13H12N4O2S/c1-7-14-11(18)10-12(15-7)20-13(17-10)16-8-3-5-9(19-2)6-4-8/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyAGUPHIPAGLKQAW-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.44
Rot. Bonds3

About 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118733045) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118733045
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCOc1ccc(Nc2nc3c(=O)[nH]c(C)nc3s2)cc1
InChIInChI=1S/C13H12N4O2S/c1-7-14-11(18)10-12(15-7)20-13(17-10)16-8-3-5-9(19-2)6-4-8/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyAGUPHIPAGLKQAW-UHFFFAOYSA-N
XLogP2.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118733045) is 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is COc1ccc(Nc2nc3c(=O)[nH]c(C)nc3s2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is AGUPHIPAGLKQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7-14-11(18)10-12(15-7)20-13(17-10)16-8-3-5-9(19-2)6-4-8/h3-6H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 288.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118733045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).