N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide

C19H20N6O2S — CID 15980108

About N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide

N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (PubChem CID 15980108) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
• PubChem CID: 15980108
• Molecular Formula: C19H20N6O2S
• Molecular Weight: 396.48 g/mol
• Exact Mass: 396.14
• IUPAC Name: N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
• SMILES: CNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
• InChI: InChI=1S/C19H20N6O2S/c1-20-18(26)14-8-13(10-21-11-14)16-12-23-19(28-16)24-17-9-15(2-3-22-17)25-4-6-27-7-5-25/h2-3,8-12H,4-7H2,1H3,(H,20,26)(H,22,23,24)
• InChIKey: GIAYDDWGZZEJQE-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.48
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?

The IUPAC name of N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (CID 15980108) is N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?

The canonical SMILES for N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.

What is the InChIKey of N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?

The InChIKey is GIAYDDWGZZEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-20-18(26)14-8-13(10-21-11-14)16-12-23-19(28-16)24-17-9-15(2-3-22-17)25-4-6-27-7-5-25/h2-3,8-12H,4-7H2,1H3,(H,20,26)(H,22,23,24).

What are the key properties of N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?

N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15980108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).