1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C13H16N6OS2 — CID 88932103

About 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 88932103) has the molecular formula C13H16N6OS2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 88932103
• Molecular Formula: C13H16N6OS2
• Molecular Weight: 336.45 g/mol
• Exact Mass: 336.08
• IUPAC Name: 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: CNC(=O)Nc1nc2c(s1)CN(c1cncc(SC)n1)CC2
• InChI: InChI=1S/C13H16N6OS2/c1-14-12(20)18-13-16-8-3-4-19(7-9(8)22-13)10-5-15-6-11(17-10)21-2/h5-6H,3-4,7H2,1-2H3,(H2,14,16,18,20)
• InChIKey: GVARBQFOPHXQQZ-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.45
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The IUPAC name of 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 88932103) is 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

What is the SMILES notation for 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The canonical SMILES for 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is CNC(=O)Nc1nc2c(s1)CN(c1cncc(SC)n1)CC2.

What is the InChIKey of 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The InChIKey is GVARBQFOPHXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS2/c1-14-12(20)18-13-16-8-3-4-19(7-9(8)22-13)10-5-15-6-11(17-10)21-2/h5-6H,3-4,7H2,1-2H3,(H2,14,16,18,20).

What are the key properties of 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 336.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 88932103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).