N,3-dimethyl-1,2,4-thiadiazol-5-amine

C4H7N3S — CID 12725101

IUPACN,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C)ns1
InChIInChI=1S/C4H7N3S/c1-3-6-4(5-2)8-7-3/h1-2H3,(H,5,6,7)
InChIKeyIUBUPGSNVZBXNK-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.89
Rot. Bonds1

About N,3-dimethyl-1,2,4-thiadiazol-5-amine

N,3-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 12725101) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is N,3-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID12725101
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC NameN,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C)ns1
InChIInChI=1S/C4H7N3S/c1-3-6-4(5-2)8-7-3/h1-2H3,(H,5,6,7)
InChIKeyIUBUPGSNVZBXNK-UHFFFAOYSA-N
XLogP0.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,3-dimethyl-1,2,4-thiadiazol-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 N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,3-dimethyl-1,2,4-thiadiazol-5-amine (CID 12725101) is N,3-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,3-dimethyl-1,2,4-thiadiazol-5-amine is CNc1nc(C)ns1.
What is the InChIKey of N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IUBUPGSNVZBXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-3-6-4(5-2)8-7-3/h1-2H3,(H,5,6,7).
What are the key properties of N,3-dimethyl-1,2,4-thiadiazol-5-amine?
N,3-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 129.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 12725101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).