N-propan-2-yl-1,2,4-thiadiazol-3-amine

C5H9N3S — CID 163513428

IUPACN-propan-2-yl-1,2,4-thiadiazol-3-amine
SMILESCC(C)Nc1ncsn1
InChIInChI=1S/C5H9N3S/c1-4(2)7-5-6-3-9-8-5/h3-4H,1-2H3,(H,7,8)
InChIKeyDERHLBJINIHTSQ-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.36
Rot. Bonds2

About N-propan-2-yl-1,2,4-thiadiazol-3-amine

N-propan-2-yl-1,2,4-thiadiazol-3-amine (PubChem CID 163513428) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is N-propan-2-yl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,2,4-thiadiazol-3-amine
PubChem CID163513428
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC NameN-propan-2-yl-1,2,4-thiadiazol-3-amine
SMILESCC(C)Nc1ncsn1
InChIInChI=1S/C5H9N3S/c1-4(2)7-5-6-3-9-8-5/h3-4H,1-2H3,(H,7,8)
InChIKeyDERHLBJINIHTSQ-UHFFFAOYSA-N
XLogP1.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-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 N-propan-2-yl-1,2,4-thiadiazol-3-amine?
The IUPAC name of N-propan-2-yl-1,2,4-thiadiazol-3-amine (CID 163513428) is N-propan-2-yl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N-propan-2-yl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N-propan-2-yl-1,2,4-thiadiazol-3-amine is CC(C)Nc1ncsn1.
What is the InChIKey of N-propan-2-yl-1,2,4-thiadiazol-3-amine?
The InChIKey is DERHLBJINIHTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-4(2)7-5-6-3-9-8-5/h3-4H,1-2H3,(H,7,8).
What are the key properties of N-propan-2-yl-1,2,4-thiadiazol-3-amine?
N-propan-2-yl-1,2,4-thiadiazol-3-amine has a molecular weight of 143.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 163513428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).