4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine

C8H11N5OS2 — CID 106412734

IUPAC4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C8H11N5OS2/c1-15-6-7(9)13-16-8(6)10-3-2-5-11-4-12-14-5/h4,10H,2-3H2,1H3,(H2,9,13)
InChIKeyCNNLXXIKPLMGGP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.48
Rot. Bonds5

About 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine

4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 106412734) has the molecular formula C8H11N5OS2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID106412734
Molecular FormulaC8H11N5OS2
Molecular Weight257.34 g/mol
Exact Mass257.04
IUPAC Name4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C8H11N5OS2/c1-15-6-7(9)13-16-8(6)10-3-2-5-11-4-12-14-5/h4,10H,2-3H2,1H3,(H2,9,13)
InChIKeyCNNLXXIKPLMGGP-UHFFFAOYSA-N
XLogP1.48
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 106412734) is 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCCc1ncno1.
What is the InChIKey of 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is CNNLXXIKPLMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS2/c1-15-6-7(9)13-16-8(6)10-3-2-5-11-4-12-14-5/h4,10H,2-3H2,1H3,(H2,9,13).
What are the key properties of 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106412734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).