5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole

C15H15N3OS2 — CID 1485914

IUPAC5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole
SMILESCSc1n[nH]c(-c2sccc2OCc2ccc(C)cc2)n1
InChIInChI=1S/C15H15N3OS2/c1-10-3-5-11(6-4-10)9-19-12-7-8-21-13(12)14-16-15(20-2)18-17-14/h3-8H,9H2,1-2H3,(H,16,17,18)
InChIKeyAYCPBZQNSMAHNW-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.14
Rot. Bonds5

About 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole

5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole (PubChem CID 1485914) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole
PubChem CID1485914
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole
SMILESCSc1n[nH]c(-c2sccc2OCc2ccc(C)cc2)n1
InChIInChI=1S/C15H15N3OS2/c1-10-3-5-11(6-4-10)9-19-12-7-8-21-13(12)14-16-15(20-2)18-17-14/h3-8H,9H2,1-2H3,(H,16,17,18)
InChIKeyAYCPBZQNSMAHNW-UHFFFAOYSA-N
XLogP4.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole?
The IUPAC name of 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole (CID 1485914) is 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole?
The canonical SMILES for 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole is CSc1n[nH]c(-c2sccc2OCc2ccc(C)cc2)n1.
What is the InChIKey of 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole?
The InChIKey is AYCPBZQNSMAHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-10-3-5-11(6-4-10)9-19-12-7-8-21-13(12)14-16-15(20-2)18-17-14/h3-8H,9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole?
5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole has a molecular weight of 317.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole is sourced from PubChem (CID 1485914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).