(4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

C11H12N4OS — CID 86265296

IUPAC(4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CC(n3ccnn3)C2)c1
InChIInChI=1S/C11H12N4OS/c1-8-4-10(17-7-8)11(16)14-5-9(6-14)15-3-2-12-13-15/h2-4,7,9H,5-6H2,1H3
InChIKeyDYYDTLREVOAQLP-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.35
Rot. Bonds2

About (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

(4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 86265296) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID86265296
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name(4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CC(n3ccnn3)C2)c1
InChIInChI=1S/C11H12N4OS/c1-8-4-10(17-7-8)11(16)14-5-9(6-14)15-3-2-12-13-15/h2-4,7,9H,5-6H2,1H3
InChIKeyDYYDTLREVOAQLP-UHFFFAOYSA-N
XLogP1.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 86265296) is (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is Cc1csc(C(=O)N2CC(n3ccnn3)C2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is DYYDTLREVOAQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-8-4-10(17-7-8)11(16)14-5-9(6-14)15-3-2-12-13-15/h2-4,7,9H,5-6H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
(4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 248.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 86265296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).