4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole

C20H17N3O2S — CID 118541876

IUPAC4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole
SMILESCOc1ccccc1-n1c(OCc2ccccc2)nnc1-c1cccs1
InChIInChI=1S/C20H17N3O2S/c1-24-17-11-6-5-10-16(17)23-19(18-12-7-13-26-18)21-22-20(23)25-14-15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyXZSHWNBFEKQWEZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.58
Rot. Bonds6

About 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole

4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole (PubChem CID 118541876) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole
PubChem CID118541876
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole
SMILESCOc1ccccc1-n1c(OCc2ccccc2)nnc1-c1cccs1
InChIInChI=1S/C20H17N3O2S/c1-24-17-11-6-5-10-16(17)23-19(18-12-7-13-26-18)21-22-20(23)25-14-15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyXZSHWNBFEKQWEZ-UHFFFAOYSA-N
XLogP4.58
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole (CID 118541876) is 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole is COc1ccccc1-n1c(OCc2ccccc2)nnc1-c1cccs1.
What is the InChIKey of 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole?
The InChIKey is XZSHWNBFEKQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-17-11-6-5-10-16(17)23-19(18-12-7-13-26-18)21-22-20(23)25-14-15-8-3-2-4-9-15/h2-13H,14H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole?
4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole has a molecular weight of 363.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 118541876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).