N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C20H19N5OS — CID 87944735

About N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87944735) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 87944735
• Molecular Formula: C20H19N5OS
• Molecular Weight: 377.47 g/mol
• Exact Mass: 377.13
• IUPAC Name: N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: CC(C)OCc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1
• InChI: InChI=1S/C20H19N5OS/c1-13(2)26-12-14-5-10-22-18(11-14)25-20-24-17-4-3-16(23-19(17)27-20)15-6-8-21-9-7-15/h3-11,13H,12H2,1-2H3,(H,22,24,25)
• InChIKey: NEODYYZWIVDIBP-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 72.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.47
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The IUPAC name of N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87944735) is N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

What is the SMILES notation for N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The canonical SMILES for N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CC(C)OCc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.

What is the InChIKey of N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The InChIKey is NEODYYZWIVDIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13(2)26-12-14-5-10-22-18(11-14)25-20-24-17-4-3-16(23-19(17)27-20)15-6-8-21-9-7-15/h3-11,13H,12H2,1-2H3,(H,22,24,25).

What are the key properties of N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87944735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).