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

C20H22N6O3S — CID 15980233

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

N-(2-hydroxyethyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (PubChem CID 15980233) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
• PubChem CID: 15980233
• Molecular Formula: C20H22N6O3S
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.15
• IUPAC Name: N-(2-hydroxyethyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
• SMILES: O=C(NCCO)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
• InChI: InChI=1S/C20H22N6O3S/c27-6-3-23-19(28)15-9-14(11-21-12-15)17-13-24-20(30-17)25-18-10-16(1-2-22-18)26-4-7-29-8-5-26/h1-2,9-13,27H,3-8H2,(H,23,28)(H,22,24,25)
• InChIKey: NAAZQHNSHXOSSF-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 112.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-(2-hydroxyethyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (CID 15980233) is N-(2-hydroxyethyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.

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

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

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

The InChIKey is NAAZQHNSHXOSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c27-6-3-23-19(28)15-9-14(11-21-12-15)17-13-24-20(30-17)25-18-10-16(1-2-22-18)26-4-7-29-8-5-26/h1-2,9-13,27H,3-8H2,(H,23,28)(H,22,24,25).

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

N-(2-hydroxyethyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15980233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).