5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C6H7N5OS2 — CID 28782716

IUPAC5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1noc(CSc2nnc(N)s2)n1
InChIInChI=1S/C6H7N5OS2/c1-3-8-4(12-11-3)2-13-6-10-9-5(7)14-6/h2H2,1H3,(H2,7,9)
InChIKeyGUEVPKJXNMSXMX-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.10
Rot. Bonds3

About 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 28782716) has the molecular formula C6H7N5OS2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID28782716
Molecular FormulaC6H7N5OS2
Molecular Weight229.29 g/mol
Exact Mass229.01
IUPAC Name5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1noc(CSc2nnc(N)s2)n1
InChIInChI=1S/C6H7N5OS2/c1-3-8-4(12-11-3)2-13-6-10-9-5(7)14-6/h2H2,1H3,(H2,7,9)
InChIKeyGUEVPKJXNMSXMX-UHFFFAOYSA-N
XLogP1.10
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 47393522
5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9418012
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630041
2-[4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-5-yl]acetic acid
CID 28782193
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617029
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79134305
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine
CID 43302152
3-tert-butyl-5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47154950
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione
CID 18147442
5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191
4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79133815

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 28782716) is 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1noc(CSc2nnc(N)s2)n1.
What is the InChIKey of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GUEVPKJXNMSXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS2/c1-3-8-4(12-11-3)2-13-6-10-9-5(7)14-6/h2H2,1H3,(H2,7,9).
What are the key properties of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 28782716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).