2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine

C16H18N4OS2 — CID 72939220

IUPAC2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCOCc1ccc(-c2nc(CCSC)nn2-c2ccccn2)s1
InChIInChI=1S/C16H18N4OS2/c1-21-11-12-6-7-13(23-12)16-18-14(8-10-22-2)19-20(16)15-5-3-4-9-17-15/h3-7,9H,8,10-11H2,1-2H3
InChIKeyWTACZPRZUKKCNK-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.44
Rot. Bonds7

About 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine

2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 72939220) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID72939220
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCOCc1ccc(-c2nc(CCSC)nn2-c2ccccn2)s1
InChIInChI=1S/C16H18N4OS2/c1-21-11-12-6-7-13(23-12)16-18-14(8-10-22-2)19-20(16)15-5-3-4-9-17-15/h3-7,9H,8,10-11H2,1-2H3
InChIKeyWTACZPRZUKKCNK-UHFFFAOYSA-N
XLogP3.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine (CID 72939220) is 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine is COCc1ccc(-c2nc(CCSC)nn2-c2ccccn2)s1.
What is the InChIKey of 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is WTACZPRZUKKCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-21-11-12-6-7-13(23-12)16-18-14(8-10-22-2)19-20(16)15-5-3-4-9-17-15/h3-7,9H,8,10-11H2,1-2H3.
What are the key properties of 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine?
2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 346.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 72939220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).