7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane

C16H17ClN2OS — CID 167926234

IUPAC7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
SMILESClc1ccc(-c2ncc(CN3CCC4(COC4)C3)s2)cc1
InChIInChI=1S/C16H17ClN2OS/c17-13-3-1-12(2-4-13)15-18-7-14(21-15)8-19-6-5-16(9-19)10-20-11-16/h1-4,7H,5-6,8-11H2
InChIKeySLZAXRWOFHVZKA-UHFFFAOYSA-N
MW320.84 g/mol
LogP3.69
Rot. Bonds3

About 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane

7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane (PubChem CID 167926234) has the molecular formula C16H17ClN2OS and a molecular weight of 320.84 g/mol. Its IUPAC name is 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
PubChem CID167926234
Molecular FormulaC16H17ClN2OS
Molecular Weight320.84 g/mol
Exact Mass320.08
IUPAC Name7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
SMILESClc1ccc(-c2ncc(CN3CCC4(COC4)C3)s2)cc1
InChIInChI=1S/C16H17ClN2OS/c17-13-3-1-12(2-4-13)15-18-7-14(21-15)8-19-6-5-16(9-19)10-20-11-16/h1-4,7H,5-6,8-11H2
InChIKeySLZAXRWOFHVZKA-UHFFFAOYSA-N
XLogP3.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane 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 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane (CID 167926234) is 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane is Clc1ccc(-c2ncc(CN3CCC4(COC4)C3)s2)cc1.
What is the InChIKey of 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is SLZAXRWOFHVZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-13-3-1-12(2-4-13)15-18-7-14(21-15)8-19-6-5-16(9-19)10-20-11-16/h1-4,7H,5-6,8-11H2.
What are the key properties of 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane?
7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 320.84 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 167926234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).