N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C14H16N4O2S2 — CID 86790434

IUPACN-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)ns1)N1CCOC2(CCC2)C1
InChIInChI=1S/C14H16N4O2S2/c19-13(18-6-7-20-14(9-18)4-2-5-14)16-12-15-11(17-22-12)10-3-1-8-21-10/h1,3,8H,2,4-7,9H2,(H,15,16,17,19)
InChIKeyVZDAGYJSHAJUCG-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.05
Rot. Bonds2

About N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 86790434) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID86790434
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)ns1)N1CCOC2(CCC2)C1
InChIInChI=1S/C14H16N4O2S2/c19-13(18-6-7-20-14(9-18)4-2-5-14)16-12-15-11(17-22-12)10-3-1-8-21-10/h1,3,8H,2,4-7,9H2,(H,15,16,17,19)
InChIKeyVZDAGYJSHAJUCG-UHFFFAOYSA-N
XLogP3.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 86790434) is N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is O=C(Nc1nc(-c2cccs2)ns1)N1CCOC2(CCC2)C1.
What is the InChIKey of N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is VZDAGYJSHAJUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c19-13(18-6-7-20-14(9-18)4-2-5-14)16-12-15-11(17-22-12)10-3-1-8-21-10/h1,3,8H,2,4-7,9H2,(H,15,16,17,19).
What are the key properties of N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 86790434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).