3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine

C17H14FN5OS2 — CID 8949612

IUPAC3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(Cc2ccc(F)cc2)nnc1SCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H14FN5OS2/c18-12-5-3-11(4-6-12)8-16-20-21-17(23(16)19)26-10-13-9-14(24-22-13)15-2-1-7-25-15/h1-7,9H,8,10,19H2
InChIKeyXYRNVVWERZUGSU-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.73
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine

3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 8949612) has the molecular formula C17H14FN5OS2 and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID8949612
Molecular FormulaC17H14FN5OS2
Molecular Weight387.47 g/mol
Exact Mass387.06
IUPAC Name3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(Cc2ccc(F)cc2)nnc1SCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H14FN5OS2/c18-12-5-3-11(4-6-12)8-16-20-21-17(23(16)19)26-10-13-9-14(24-22-13)15-2-1-7-25-15/h1-7,9H,8,10,19H2
InChIKeyXYRNVVWERZUGSU-UHFFFAOYSA-N
XLogP3.73
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8749191
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8942054
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-4-amine
CID 43075409
3-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole
CID 16620290
3-[(3-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 1491543
3-[(4-fluorophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
CID 7240691
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79134577
3-[(2-fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 4826793
3-[(4-fluorophenyl)methylsulfanyl]-4-propyl-5-thiophen-2-yl-1,2,4-triazole
CID 19725635
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 47021155
3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
CID 724534
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590345

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 8949612) is 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine is Nn1c(Cc2ccc(F)cc2)nnc1SCc1cc(-c2cccs2)on1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is XYRNVVWERZUGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5OS2/c18-12-5-3-11(4-6-12)8-16-20-21-17(23(16)19)26-10-13-9-14(24-22-13)15-2-1-7-25-15/h1-7,9H,8,10,19H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 387.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 8949612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).