N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide

C13H20N4OS — CID 43595660

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)c1cnsn1
InChIInChI=1S/C13H20N4OS/c18-12(11-9-15-19-17-11)16-10-4-7-14-13(8-10)5-2-1-3-6-13/h9-10,14H,1-8H2,(H,16,18)
InChIKeyARTOKMFVRHBGGB-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.72
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide

N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 43595660) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID43595660
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)c1cnsn1
InChIInChI=1S/C13H20N4OS/c18-12(11-9-15-19-17-11)16-10-4-7-14-13(8-10)5-2-1-3-6-13/h9-10,14H,1-8H2,(H,16,18)
InChIKeyARTOKMFVRHBGGB-UHFFFAOYSA-N
XLogP1.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide (CID 43595660) is N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide is O=C(NC1CCNC2(CCCCC2)C1)c1cnsn1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ARTOKMFVRHBGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c18-12(11-9-15-19-17-11)16-10-4-7-14-13(8-10)5-2-1-3-6-13/h9-10,14H,1-8H2,(H,16,18).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 43595660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).