2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole

C17H27N3OS — CID 97472537

IUPAC2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC3(C2)CN(CC2CCOCC2)C3)cs1
InChIInChI=1S/C17H27N3OS/c1-14-18-16(10-22-14)9-19-5-4-17(11-19)12-20(13-17)8-15-2-6-21-7-3-15/h10,15H,2-9,11-13H2,1H3
InChIKeyBVNOORPGMGNSCU-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole

2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole (PubChem CID 97472537) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
PubChem CID97472537
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC3(C2)CN(CC2CCOCC2)C3)cs1
InChIInChI=1S/C17H27N3OS/c1-14-18-16(10-22-14)9-19-5-4-17(11-19)12-20(13-17)8-15-2-6-21-7-3-15/h10,15H,2-9,11-13H2,1H3
InChIKeyBVNOORPGMGNSCU-UHFFFAOYSA-N
XLogP2.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole 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-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole (CID 97472537) is 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCC3(C2)CN(CC2CCOCC2)C3)cs1.
What is the InChIKey of 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The InChIKey is BVNOORPGMGNSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-14-18-16(10-22-14)9-19-5-4-17(11-19)12-20(13-17)8-15-2-6-21-7-3-15/h10,15H,2-9,11-13H2,1H3.
What are the key properties of 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole has a molecular weight of 321.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97472537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).