2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide

C20H27N3O2S2 — CID 45181727

IUPAC2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CCC3(CCN(Cc4sccc4C)CC3)O2)cs1
InChIInChI=1S/C20H27N3O2S2/c1-14-4-10-26-18(14)12-23-8-6-20(7-9-23)5-3-16(25-20)11-21-19(24)17-13-27-15(2)22-17/h4,10,13,16H,3,5-9,11-12H2,1-2H3,(H,21,24)
InChIKeyVUFCSBINWOBSFJ-UHFFFAOYSA-N
MW405.59 g/mol
LogP3.77
Rot. Bonds5

About 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 45181727) has the molecular formula C20H27N3O2S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID45181727
Molecular FormulaC20H27N3O2S2
Molecular Weight405.59 g/mol
Exact Mass405.15
IUPAC Name2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CCC3(CCN(Cc4sccc4C)CC3)O2)cs1
InChIInChI=1S/C20H27N3O2S2/c1-14-4-10-26-18(14)12-23-8-6-20(7-9-23)5-3-16(25-20)11-21-19(24)17-13-27-15(2)22-17/h4,10,13,16H,3,5-9,11-12H2,1-2H3,(H,21,24)
InChIKeyVUFCSBINWOBSFJ-UHFFFAOYSA-N
XLogP3.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide 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-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 45181727) is 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC2CCC3(CCN(Cc4sccc4C)CC3)O2)cs1.
What is the InChIKey of 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VUFCSBINWOBSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S2/c1-14-4-10-26-18(14)12-23-8-6-20(7-9-23)5-3-16(25-20)11-21-19(24)17-13-27-15(2)22-17/h4,10,13,16H,3,5-9,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 405.59 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45181727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).