5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine

C4H5N7S — CID 164645222

IUPAC5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine
SMILESCn1nnc(-c2nc(N)ns2)n1
InChIInChI=1S/C4H5N7S/c1-11-8-2(7-10-11)3-6-4(5)9-12-3/h1H3,(H2,5,9)
InChIKeyZYDDRJOSFLYOIW-UHFFFAOYSA-N
MW183.20 g/mol
LogP-0.69
Rot. Bonds1

About 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine

5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 164645222) has the molecular formula C4H5N7S and a molecular weight of 183.20 g/mol. Its IUPAC name is 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine
PubChem CID164645222
Molecular FormulaC4H5N7S
Molecular Weight183.20 g/mol
Exact Mass183.03
IUPAC Name5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine
SMILESCn1nnc(-c2nc(N)ns2)n1
InChIInChI=1S/C4H5N7S/c1-11-8-2(7-10-11)3-6-4(5)9-12-3/h1H3,(H2,5,9)
InChIKeyZYDDRJOSFLYOIW-UHFFFAOYSA-N
XLogP-0.69
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-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 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine (CID 164645222) is 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine is Cn1nnc(-c2nc(N)ns2)n1.
What is the InChIKey of 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is ZYDDRJOSFLYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N7S/c1-11-8-2(7-10-11)3-6-4(5)9-12-3/h1H3,(H2,5,9).
What are the key properties of 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine?
5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 183.20 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyltetrazol-5-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 164645222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).