5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine

C6H6N4OS2 — CID 28782682

IUPAC5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2ncon2)s1
InChIInChI=1S/C6H6N4OS2/c7-6-8-1-5(13-6)12-2-4-9-3-11-10-4/h1,3H,2H2,(H2,7,8)
InChIKeyZJCMPNNHKXXFPV-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.40
Rot. Bonds3

About 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine

5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 28782682) has the molecular formula C6H6N4OS2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID28782682
Molecular FormulaC6H6N4OS2
Molecular Weight214.27 g/mol
Exact Mass214.00
IUPAC Name5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2ncon2)s1
InChIInChI=1S/C6H6N4OS2/c7-6-8-1-5(13-6)12-2-4-9-3-11-10-4/h1,3H,2H2,(H2,7,8)
InChIKeyZJCMPNNHKXXFPV-UHFFFAOYSA-N
XLogP1.40
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine (CID 28782682) is 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine is Nc1ncc(SCc2ncon2)s1.
What is the InChIKey of 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is ZJCMPNNHKXXFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS2/c7-6-8-1-5(13-6)12-2-4-9-3-11-10-4/h1,3H,2H2,(H2,7,8).
What are the key properties of 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine?
5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 214.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 28782682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).