N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

C14H14N4OS2 — CID 10286474

IUPACN-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1cccc(Nc2nc(SCc3cccs3)n[nH]2)c1
InChIInChI=1S/C14H14N4OS2/c1-19-11-5-2-4-10(8-11)15-13-16-14(18-17-13)21-9-12-6-3-7-20-12/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChIKeyGZRDXWPTWCJCNP-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.91
Rot. Bonds6

About N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine (PubChem CID 10286474) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
PubChem CID10286474
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC NameN-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1cccc(Nc2nc(SCc3cccs3)n[nH]2)c1
InChIInChI=1S/C14H14N4OS2/c1-19-11-5-2-4-10(8-11)15-13-16-14(18-17-13)21-9-12-6-3-7-20-12/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChIKeyGZRDXWPTWCJCNP-UHFFFAOYSA-N
XLogP3.91
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 10308613
N-(3-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16612763
3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 10149561
N-(4-fluorophenyl)-3-[(3-methylthiophen-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 69423325
3-(4-methoxyphenyl)-5-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 16607630
3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 18145400
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-5-amine
CID 69421427
3-(4-methoxyphenyl)-5-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 18144398
2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 92644752
N-(4-methoxyphenyl)-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 9220646
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-3-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 17369520
methyl 4-[[3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]amino]benzoate
CID 16755850

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine (CID 10286474) is N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is COc1cccc(Nc2nc(SCc3cccs3)n[nH]2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is GZRDXWPTWCJCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-19-11-5-2-4-10(8-11)15-13-16-14(18-17-13)21-9-12-6-3-7-20-12/h2-8H,9H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 318.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 10286474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).