N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

C15H14N4O2S2 — CID 121097329

IUPACN-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C15H14N4O2S2/c20-15(16-6-12-2-1-4-23-12)19-7-11(8-19)14-17-13(18-21-14)10-3-5-22-9-10/h1-5,9,11H,6-8H2,(H,16,20)
InChIKeyHFLAZTZPAYIIJK-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.17
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (PubChem CID 121097329) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
PubChem CID121097329
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C15H14N4O2S2/c20-15(16-6-12-2-1-4-23-12)19-7-11(8-19)14-17-13(18-21-14)10-3-5-22-9-10/h1-5,9,11H,6-8H2,(H,16,20)
InChIKeyHFLAZTZPAYIIJK-UHFFFAOYSA-N
XLogP3.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097325
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 118712627
N-(4-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097314
N-(3-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 71784312
N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097328
3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
CID 121097788
2-[2-oxo-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethyl]isoindole-1,3-dione
CID 121097155
2-benzylsulfanyl-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097107
(3-chlorophenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097062
2-thiophen-2-yl-1-[(2R)-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625670
(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097181
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097186

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (CID 121097329) is N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is O=C(NCc1cccs1)N1CC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The InChIKey is HFLAZTZPAYIIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c20-15(16-6-12-2-1-4-23-12)19-7-11(8-19)14-17-13(18-21-14)10-3-5-22-9-10/h1-5,9,11H,6-8H2,(H,16,20).
What are the key properties of N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121097329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).