N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide

C12H18N4OS — CID 46989101

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide
SMILESCc1nsc(NC(=O)N2CCC3(CCCC3)C2)n1
InChIInChI=1S/C12H18N4OS/c1-9-13-10(18-15-9)14-11(17)16-7-6-12(8-16)4-2-3-5-12/h2-8H2,1H3,(H,13,14,15,17)
InChIKeyBQKCQLVVWDLHPH-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.64
Rot. Bonds1

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide (PubChem CID 46989101) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide
PubChem CID46989101
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide
SMILESCc1nsc(NC(=O)N2CCC3(CCCC3)C2)n1
InChIInChI=1S/C12H18N4OS/c1-9-13-10(18-15-9)14-11(17)16-7-6-12(8-16)4-2-3-5-12/h2-8H2,1H3,(H,13,14,15,17)
InChIKeyBQKCQLVVWDLHPH-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 50977048
3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 46983591
N-[(1-ethylcyclobutyl)methyl]-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46989220
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 117669725
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 123777157
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 123780091
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127452854
(3aR,6aS)-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 135191113
(3aS,6aR)-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 135191179
4-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)azepane-1-carboxamide
CID 138630036
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 155123133
N-[3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 155123241

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide (CID 46989101) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide is Cc1nsc(NC(=O)N2CCC3(CCCC3)C2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide?
The InChIKey is BQKCQLVVWDLHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-9-13-10(18-15-9)14-11(17)16-7-6-12(8-16)4-2-3-5-12/h2-8H2,1H3,(H,13,14,15,17).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 46989101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).