(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

C14H10ClN3O2S2 — CID 121097181

IUPAC(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C14H10ClN3O2S2/c15-11-2-1-10(22-11)14(19)18-5-9(6-18)13-16-12(17-20-13)8-3-4-21-7-8/h1-4,7,9H,5-6H2
InChIKeyRUDNEDFIKWAVNO-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.75
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (PubChem CID 121097181) has the molecular formula C14H10ClN3O2S2 and a molecular weight of 351.84 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
PubChem CID121097181
Molecular FormulaC14H10ClN3O2S2
Molecular Weight351.84 g/mol
Exact Mass350.99
IUPAC Name(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C14H10ClN3O2S2/c15-11-2-1-10(22-11)14(19)18-5-9(6-18)13-16-12(17-20-13)8-3-4-21-7-8/h1-4,7,9H,5-6H2
InChIKeyRUDNEDFIKWAVNO-UHFFFAOYSA-N
XLogP3.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chlorophenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097062
(3,5-dimethoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097054
2-benzylsulfanyl-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097107
(3-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 71784245
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-(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
N-(4-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097314
N-(2,6-difluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097325
3-(4-methoxyphenyl)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]propan-1-one
CID 121097140
2,2-dimethyl-1-[(3R)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 99021860
N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097329
5-(1-cyclopropylsulfonylazetidin-3-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121097392

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (CID 121097181) is (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The InChIKey is RUDNEDFIKWAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S2/c15-11-2-1-10(22-11)14(19)18-5-9(6-18)13-16-12(17-20-13)8-3-4-21-7-8/h1-4,7,9H,5-6H2.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 351.84 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121097181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).