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

C10H9N5OS2 — CID 8942054

IUPAC3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCc1cc(-c2cccs2)on1
InChIInChI=1S/C10H9N5OS2/c11-15-6-12-13-10(15)18-5-7-4-8(16-14-7)9-2-1-3-17-9/h1-4,6H,5,11H2
InChIKeyIMIYTUBELHRFLV-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.00
Rot. Bonds4

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

3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 8942054) has the molecular formula C10H9N5OS2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID8942054
Molecular FormulaC10H9N5OS2
Molecular Weight279.35 g/mol
Exact Mass279.02
IUPAC Name3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCc1cc(-c2cccs2)on1
InChIInChI=1S/C10H9N5OS2/c11-15-6-12-13-10(15)18-5-7-4-8(16-14-7)9-2-1-3-17-9/h1-4,6H,5,11H2
InChIKeyIMIYTUBELHRFLV-UHFFFAOYSA-N
XLogP2.00
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(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-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 130979384
3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8949612
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79134577
3-[[6-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 23660778
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 47021155
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590345
2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79146830
4-chloro-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79528047
3-(butylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 112795792
3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 7978022
3-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 17438905

Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 8942054) is 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine is Nn1cnnc1SCc1cc(-c2cccs2)on1.
What is the InChIKey of 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is IMIYTUBELHRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS2/c11-15-6-12-13-10(15)18-5-7-4-8(16-14-7)9-2-1-3-17-9/h1-4,6H,5,11H2.
What are the key properties of 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 8942054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).