(5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C19H23N3O3S — CID 124913592

About (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124913592) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 124913592
• Molecular Formula: C19H23N3O3S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.15
• IUPAC Name: (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CC3(C[C@@H](OCc4csc(C)n4)CCO3)C2)nc1
• InChI: InChI=1S/C19H23N3O3S/c1-13-3-4-17(20-8-13)18(23)22-11-19(12-22)7-16(5-6-25-19)24-9-15-10-26-14(2)21-15/h3-4,8,10,16H,5-7,9,11-12H2,1-2H3/t16-/m0/s1
• InChIKey: QLBZOWIMYSCMFP-INIZCTEOSA-N
• XLogP: 2.75
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 124913592) is (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1ccc(C(=O)N2CC3(C[C@@H](OCc4csc(C)n4)CCO3)C2)nc1.

What is the InChIKey of (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is QLBZOWIMYSCMFP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-3-4-17(20-8-13)18(23)22-11-19(12-22)7-16(5-6-25-19)24-9-15-10-26-14(2)21-15/h3-4,8,10,16H,5-7,9,11-12H2,1-2H3/t16-/m0/s1.

What are the key properties of (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

(5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 373.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124913592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).