(6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C19H24N4OS — CID 97450065

About (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

(6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97450065) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 97450065
• Molecular Formula: C19H24N4OS
• Molecular Weight: 356.50 g/mol
• Exact Mass: 356.17
• IUPAC Name: (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CC[C@]3(CCCN(Cc4nccs4)C3)C2)cn1
• InChI: InChI=1S/C19H24N4OS/c1-15-3-4-16(11-21-15)18(24)23-9-6-19(14-23)5-2-8-22(13-19)12-17-20-7-10-25-17/h3-4,7,10-11H,2,5-6,8-9,12-14H2,1H3/t19-/m0/s1
• InChIKey: XQUYXWZSHIZMBE-IBGZPJMESA-N
• XLogP: 2.97
• TPSA: 49.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.50
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The IUPAC name of (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 97450065) is (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

What is the SMILES notation for (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The canonical SMILES for (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1ccc(C(=O)N2CC[C@]3(CCCN(Cc4nccs4)C3)C2)cn1.

What is the InChIKey of (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The InChIKey is XQUYXWZSHIZMBE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4OS/c1-15-3-4-16(11-21-15)18(24)23-9-6-19(14-23)5-2-8-22(13-19)12-17-20-7-10-25-17/h3-4,7,10-11H,2,5-6,8-9,12-14H2,1H3/t19-/m0/s1.

What are the key properties of (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?

(6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 356.50 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97450065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).