2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine

C11H22N4S — CID 79661792

IUPAC2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1nnc(C)s1
InChIInChI=1S/C11H22N4S/c1-5-6-15(8-11(3,4)7-12)10-14-13-9(2)16-10/h5-8,12H2,1-4H3
InChIKeyBZTCAEJPKRJZEY-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.05
Rot. Bonds6

About 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine (PubChem CID 79661792) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine
PubChem CID79661792
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1nnc(C)s1
InChIInChI=1S/C11H22N4S/c1-5-6-15(8-11(3,4)7-12)10-14-13-9(2)16-10/h5-8,12H2,1-4H3
InChIKeyBZTCAEJPKRJZEY-UHFFFAOYSA-N
XLogP2.05
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-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 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine (CID 79661792) is 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)c1nnc(C)s1.
What is the InChIKey of 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is BZTCAEJPKRJZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-5-6-15(8-11(3,4)7-12)10-14-13-9(2)16-10/h5-8,12H2,1-4H3.
What are the key properties of 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79661792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).