N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C9H15N3S — CID 65268446

IUPACN-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3S/c1-9(2,3)11-8-10-7(12-13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyTYJIGIGYBMNSQF-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.63
Rot. Bonds2

About N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268446) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65268446
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3S/c1-9(2,3)11-8-10-7(12-13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyTYJIGIGYBMNSQF-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-cyclopropyl-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-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65268446) is N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine is CC(C)(C)Nc1nc(C2CC2)ns1.
What is the InChIKey of N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is TYJIGIGYBMNSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(2,3)11-8-10-7(12-13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).