2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C17H25N5OS — CID 131643572

IUPAC2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1ccnc1CN1CCC2(COCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H25N5OS/c1-20-6-3-18-15(20)10-21-5-2-17(12-21)13-22(7-8-23-14-17)11-16-19-4-9-24-16/h3-4,6,9H,2,5,7-8,10-14H2,1H3
InChIKeyAPDPZKCBTHHQMM-UHFFFAOYSA-N
MW347.49 g/mol
LogP1.60
Rot. Bonds4

About 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 131643572) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID131643572
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1ccnc1CN1CCC2(COCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H25N5OS/c1-20-6-3-18-15(20)10-21-5-2-17(12-21)13-22(7-8-23-14-17)11-16-19-4-9-24-16/h3-4,6,9H,2,5,7-8,10-14H2,1H3
InChIKeyAPDPZKCBTHHQMM-UHFFFAOYSA-N
XLogP1.60
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 131643572) is 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is Cn1ccnc1CN1CCC2(COCCN(Cc3nccs3)C2)C1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is APDPZKCBTHHQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-20-6-3-18-15(20)10-21-5-2-17(12-21)13-22(7-8-23-14-17)11-16-19-4-9-24-16/h3-4,6,9H,2,5,7-8,10-14H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 347.49 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl]-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 131643572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).