5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine

C7H14N4S — CID 66279021

IUPAC5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(c1nc(N)ns1)C(C)C
InChIInChI=1S/C7H14N4S/c1-4-11(5(2)3)7-9-6(8)10-12-7/h5H,4H2,1-3H3,(H2,8,10)
InChIKeyDAIIYUCQFGFMEI-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.36
Rot. Bonds3

About 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine

5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279021) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279021
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(c1nc(N)ns1)C(C)C
InChIInChI=1S/C7H14N4S/c1-4-11(5(2)3)7-9-6(8)10-12-7/h5H,4H2,1-3H3,(H2,8,10)
InChIKeyDAIIYUCQFGFMEI-UHFFFAOYSA-N
XLogP1.36
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine 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-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine (CID 66279021) is 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine is CCN(c1nc(N)ns1)C(C)C.
What is the InChIKey of 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is DAIIYUCQFGFMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-4-11(5(2)3)7-9-6(8)10-12-7/h5H,4H2,1-3H3,(H2,8,10).
What are the key properties of 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine?
5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 186.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).