N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide

C18H22N4O2S — CID 124780444

About N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide

N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide (PubChem CID 124780444) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
• PubChem CID: 124780444
• Molecular Formula: C18H22N4O2S
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.15
• IUPAC Name: N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
• SMILES: O=C(N[C@H]1CCO[C@@]2(CCN(Cc3nccs3)C2)C1)c1cccnc1
• InChI: InChI=1S/C18H22N4O2S/c23-17(14-2-1-5-19-11-14)21-15-3-8-24-18(10-15)4-7-22(13-18)12-16-20-6-9-25-16/h1-2,5-6,9,11,15H,3-4,7-8,10,12-13H2,(H,21,23)/t15-,18-/m0/s1
• InChIKey: KEBLGAMDFLOUAQ-YJBOKZPZSA-N
• XLogP: 2.09
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide (CID 124780444) is N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide is O=C(N[C@H]1CCO[C@@]2(CCN(Cc3nccs3)C2)C1)c1cccnc1.

What is the InChIKey of N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide?

The InChIKey is KEBLGAMDFLOUAQ-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-17(14-2-1-5-19-11-14)21-15-3-8-24-18(10-15)4-7-22(13-18)12-16-20-6-9-25-16/h1-2,5-6,9,11,15H,3-4,7-8,10,12-13H2,(H,21,23)/t15-,18-/m0/s1.

What are the key properties of N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide?

N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide is sourced from PubChem (CID 124780444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).