N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C10H19N3S — CID 58970596

IUPACN,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(CC)c1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-5-13(6-2)10-11-9(12-14-10)7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyTYTJYAHAXXSABH-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.58
Rot. Bonds5

About N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 58970596) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID58970596
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(CC)c1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-5-13(6-2)10-11-9(12-14-10)7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyTYTJYAHAXXSABH-UHFFFAOYSA-N
XLogP2.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-3-(2-methylpropyl)-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,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 58970596) is N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CCN(CC)c1nc(CC(C)C)ns1.
What is the InChIKey of N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is TYTJYAHAXXSABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-13(6-2)10-11-9(12-14-10)7-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 58970596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).