[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone

C16H14N4OS — CID 86264982

IUPAC[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H14N4OS/c21-16(13-6-7-22-11-13)19-8-14(9-19)20-10-15(17-18-20)12-4-2-1-3-5-12/h1-7,10-11,14H,8-9H2
InChIKeyGEWIKYJCUFCSFW-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.70
Rot. Bonds3

About [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone

[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 86264982) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone
PubChem CID86264982
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H14N4OS/c21-16(13-6-7-22-11-13)19-8-14(9-19)20-10-15(17-18-20)12-4-2-1-3-5-12/h1-7,10-11,14H,8-9H2
InChIKeyGEWIKYJCUFCSFW-UHFFFAOYSA-N
XLogP2.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 75473408
(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473419
1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone
CID 75473404
N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 75473398
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473439
[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 97342620
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
(2-methylsulfanyl-3-pyridinyl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624921
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121150019

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone (CID 86264982) is [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is GEWIKYJCUFCSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(13-6-7-22-11-13)19-8-14(9-19)20-10-15(17-18-20)12-4-2-1-3-5-12/h1-7,10-11,14H,8-9H2.
What are the key properties of [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone?
[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 310.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 86264982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).