3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

C7H13N3OS — CID 62693862

IUPAC3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCSCc1noc(NC(C)C)n1
InChIInChI=1S/C7H13N3OS/c1-5(2)8-7-9-6(4-12-3)10-11-7/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyUPNPCJVOQDZPHZ-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.75
Rot. Bonds4

About 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 62693862) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID62693862
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCSCc1noc(NC(C)C)n1
InChIInChI=1S/C7H13N3OS/c1-5(2)8-7-9-6(4-12-3)10-11-7/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyUPNPCJVOQDZPHZ-UHFFFAOYSA-N
XLogP1.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 62693862) is 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is CSCc1noc(NC(C)C)n1.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is UPNPCJVOQDZPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(2)8-7-9-6(4-12-3)10-11-7/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62693862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).