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

C18H26N4O2S — CID 37300608

IUPAC2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCc1nc(CN2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cs1
InChIInChI=1S/C18H26N4O2S/c1-14-19-15(12-25-14)11-20-6-8-21(9-7-20)13-22-16(23)10-18(17(22)24)4-2-3-5-18/h12H,2-11,13H2,1H3
InChIKeyMISUMXPARFFOIM-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.85
Rot. Bonds4

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

2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 37300608) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID37300608
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCc1nc(CN2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cs1
InChIInChI=1S/C18H26N4O2S/c1-14-19-15(12-25-14)11-20-6-8-21(9-7-20)13-22-16(23)10-18(17(22)24)4-2-3-5-18/h12H,2-11,13H2,1H3
InChIKeyMISUMXPARFFOIM-UHFFFAOYSA-N
XLogP1.85
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 37300608) is 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione is Cc1nc(CN2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cs1.
What is the InChIKey of 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is MISUMXPARFFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-14-19-15(12-25-14)11-20-6-8-21(9-7-20)13-22-16(23)10-18(17(22)24)4-2-3-5-18/h12H,2-11,13H2,1H3.
What are the key properties of 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 362.50 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 37300608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).