5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine

C15H12N6OS — CID 170148134

IUPAC5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine
SMILESCc1nnc(-c2ccc(-c3ccc(-c4n[nH]nc4N)s3)cc2)o1
InChIInChI=1S/C15H12N6OS/c1-8-17-20-15(22-8)10-4-2-9(3-5-10)11-6-7-12(23-11)13-14(16)19-21-18-13/h2-7H,1H3,(H3,16,18,19,21)
InChIKeyMDDNOVMBHHGRPT-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.14
Rot. Bonds3

About 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine

5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine (PubChem CID 170148134) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine
PubChem CID170148134
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine
SMILESCc1nnc(-c2ccc(-c3ccc(-c4n[nH]nc4N)s3)cc2)o1
InChIInChI=1S/C15H12N6OS/c1-8-17-20-15(22-8)10-4-2-9(3-5-10)11-6-7-12(23-11)13-14(16)19-21-18-13/h2-7H,1H3,(H3,16,18,19,21)
InChIKeyMDDNOVMBHHGRPT-UHFFFAOYSA-N
XLogP3.14
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine?
The IUPAC name of 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine (CID 170148134) is 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine?
The canonical SMILES for 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine is Cc1nnc(-c2ccc(-c3ccc(-c4n[nH]nc4N)s3)cc2)o1.
What is the InChIKey of 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine?
The InChIKey is MDDNOVMBHHGRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c1-8-17-20-15(22-8)10-4-2-9(3-5-10)11-6-7-12(23-11)13-14(16)19-21-18-13/h2-7H,1H3,(H3,16,18,19,21).
What are the key properties of 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine?
5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine has a molecular weight of 324.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine is sourced from PubChem (CID 170148134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).