(5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone

C13H16N4OS — CID 121018088

IUPAC(5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3nccn3)CC2)s1
InChIInChI=1S/C13H16N4OS/c1-10-2-3-12(19-10)13(18)16-8-4-11(5-9-16)17-14-6-7-15-17/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyIYRNBJSCIALXQW-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.13
Rot. Bonds2

About (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone

(5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121018088) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
PubChem CID121018088
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3nccn3)CC2)s1
InChIInChI=1S/C13H16N4OS/c1-10-2-3-12(19-10)13(18)16-8-4-11(5-9-16)17-14-6-7-15-17/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyIYRNBJSCIALXQW-UHFFFAOYSA-N
XLogP2.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone (CID 121018088) is (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(n3nccn3)CC2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is IYRNBJSCIALXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-10-2-3-12(19-10)13(18)16-8-4-11(5-9-16)17-14-6-7-15-17/h2-3,6-7,11H,4-5,8-9H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone?
(5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 276.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121018088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).