N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide

C11H16N4OS — CID 46985954

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide
SMILESCc1nsc(NC(=O)N2CCCCC23CC3)n1
InChIInChI=1S/C11H16N4OS/c1-8-12-9(17-14-8)13-10(16)15-7-3-2-4-11(15)5-6-11/h2-7H2,1H3,(H,12,13,14,16)
InChIKeyKZOWSNYRONABSP-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.40
Rot. Bonds1

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide (PubChem CID 46985954) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide
PubChem CID46985954
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide
SMILESCc1nsc(NC(=O)N2CCCCC23CC3)n1
InChIInChI=1S/C11H16N4OS/c1-8-12-9(17-14-8)13-10(16)15-7-3-2-4-11(15)5-6-11/h2-7H2,1H3,(H,12,13,14,16)
InChIKeyKZOWSNYRONABSP-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[1-(piperidin-1-ylmethyl)cyclohexyl]urea
CID 46982195
N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50968784
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
(4aS*,8aR*)-N-(3-methyl-1,2,4-thiadiazol-5-yl)octahydroisoquinoline-2(1H)-carboxamide
CID 46985045
N-cycloheptyl-N-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46985119
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986528
4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990975
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 46984021
3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46985285

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide (CID 46985954) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide is Cc1nsc(NC(=O)N2CCCCC23CC3)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide?
The InChIKey is KZOWSNYRONABSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-12-9(17-14-8)13-10(16)15-7-3-2-4-11(15)5-6-11/h2-7H2,1H3,(H,12,13,14,16).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.40, 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)-4-azaspiro[2.5]octane-4-carboxamide is sourced from PubChem (CID 46985954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).