2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C14H19N3O2S2 — CID 86869008

About 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 86869008) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

• Compound Name: 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
• PubChem CID: 86869008
• Molecular Formula: C14H19N3O2S2
• Molecular Weight: 325.46 g/mol
• Exact Mass: 325.09
• IUPAC Name: 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
• SMILES: Cc1nc(CN(C)CN2C(=O)CC3(CCSC3)C2=O)cs1
• InChI: InChI=1S/C14H19N3O2S2/c1-10-15-11(7-21-10)6-16(2)9-17-12(18)5-14(13(17)19)3-4-20-8-14/h7H,3-6,8-9H2,1-2H3
• InChIKey: QBXHHVFBKPLVDW-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 53.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.46
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?

The IUPAC name of 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 86869008) is 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

What is the SMILES notation for 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?

The canonical SMILES for 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is Cc1nc(CN(C)CN2C(=O)CC3(CCSC3)C2=O)cs1.

What is the InChIKey of 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?

The InChIKey is QBXHHVFBKPLVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10-15-11(7-21-10)6-16(2)9-17-12(18)5-14(13(17)19)3-4-20-8-14/h7H,3-6,8-9H2,1-2H3.

What are the key properties of 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?

2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 325.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 86869008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).