furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone

C15H13N3O3S — CID 976556

IUPACfuran-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone
SMILESCOc1ccc(-c2nc(SC)n(C(=O)c3ccco3)n2)cc1
InChIInChI=1S/C15H13N3O3S/c1-20-11-7-5-10(6-8-11)13-16-15(22-2)18(17-13)14(19)12-4-3-9-21-12/h3-9H,1-2H3
InChIKeyWYWOFXVQVFMJML-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.96
Rot. Bonds4

About furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone

furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone (PubChem CID 976556) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone
PubChem CID976556
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Namefuran-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone
SMILESCOc1ccc(-c2nc(SC)n(C(=O)c3ccco3)n2)cc1
InChIInChI=1S/C15H13N3O3S/c1-20-11-7-5-10(6-8-11)13-16-15(22-2)18(17-13)14(19)12-4-3-9-21-12/h3-9H,1-2H3
InChIKeyWYWOFXVQVFMJML-UHFFFAOYSA-N
XLogP2.96
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone (CID 976556) is furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone is COc1ccc(-c2nc(SC)n(C(=O)c3ccco3)n2)cc1.
What is the InChIKey of furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone?
The InChIKey is WYWOFXVQVFMJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-20-11-7-5-10(6-8-11)13-16-15(22-2)18(17-13)14(19)12-4-3-9-21-12/h3-9H,1-2H3.
What are the key properties of furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone?
furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone has a molecular weight of 315.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 976556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).