N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide

C11H14N6O2S — CID 167929987

IUPACN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide
SMILESO=C1NCC2(CN(C(=O)Nc3nc(C4CC4)ns3)C2)N1
InChIInChI=1S/C11H14N6O2S/c18-8-12-3-11(15-8)4-17(5-11)10(19)14-9-13-7(16-20-9)6-1-2-6/h6H,1-5H2,(H2,12,15,18)(H,13,14,16,19)
InChIKeyFEYCKUIWGDDOQV-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.31
Rot. Bonds2

About N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide

N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide (PubChem CID 167929987) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide
PubChem CID167929987
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide
SMILESO=C1NCC2(CN(C(=O)Nc3nc(C4CC4)ns3)C2)N1
InChIInChI=1S/C11H14N6O2S/c18-8-12-3-11(15-8)4-17(5-11)10(19)14-9-13-7(16-20-9)6-1-2-6/h6H,1-5H2,(H2,12,15,18)(H,13,14,16,19)
InChIKeyFEYCKUIWGDDOQV-UHFFFAOYSA-N
XLogP0.31
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide (CID 167929987) is N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide is O=C1NCC2(CN(C(=O)Nc3nc(C4CC4)ns3)C2)N1.
What is the InChIKey of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide?
The InChIKey is FEYCKUIWGDDOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c18-8-12-3-11(15-8)4-17(5-11)10(19)14-9-13-7(16-20-9)6-1-2-6/h6H,1-5H2,(H2,12,15,18)(H,13,14,16,19).
What are the key properties of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide?
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 167929987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).