3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

C16H19N5O2S — CID 71995684

IUPAC3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCCOc1ccccc1-c1nnc(SCc2ncc(CC)o2)n1N
InChIInChI=1S/C16H19N5O2S/c1-3-11-9-18-14(23-11)10-24-16-20-19-15(21(16)17)12-7-5-6-8-13(12)22-4-2/h5-9H,3-4,10,17H2,1-2H3
InChIKeyFALIMVUTBYRZHW-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.90
Rot. Bonds7

About 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 71995684) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID71995684
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCCOc1ccccc1-c1nnc(SCc2ncc(CC)o2)n1N
InChIInChI=1S/C16H19N5O2S/c1-3-11-9-18-14(23-11)10-24-16-20-19-15(21(16)17)12-7-5-6-8-13(12)22-4-2/h5-9H,3-4,10,17H2,1-2H3
InChIKeyFALIMVUTBYRZHW-UHFFFAOYSA-N
XLogP2.90
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine with MolForge

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Related Compounds

3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 16591064
3-(2-chlorophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 84601584
3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazole
CID 19731910
3-(2-methoxyethylsulfanyl)-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 27909736
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxypyran-4-one
CID 118704743
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 2665927
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 2633551
3-(2-methoxyphenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 27713898
2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 30443346
methyl 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 2705842
3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazol-4-amine
CID 936287
2-[[5-(2-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6459373

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 71995684) is 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine is CCOc1ccccc1-c1nnc(SCc2ncc(CC)o2)n1N.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is FALIMVUTBYRZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-3-11-9-18-14(23-11)10-24-16-20-19-15(21(16)17)12-7-5-6-8-13(12)22-4-2/h5-9H,3-4,10,17H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 345.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 71995684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).