2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine

C11H22N4S — CID 106142084

IUPAC2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine
SMILESCC(C)c1nsc(NCC(C)(C)CCN)n1
InChIInChI=1S/C11H22N4S/c1-8(2)9-14-10(16-15-9)13-7-11(3,4)5-6-12/h8H,5-7,12H2,1-4H3,(H,13,14,15)
InChIKeyKFQNWGJLRNKOCA-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.45
Rot. Bonds6

About 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine

2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine (PubChem CID 106142084) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine
PubChem CID106142084
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine
SMILESCC(C)c1nsc(NCC(C)(C)CCN)n1
InChIInChI=1S/C11H22N4S/c1-8(2)9-14-10(16-15-9)13-7-11(3,4)5-6-12/h8H,5-7,12H2,1-4H3,(H,13,14,15)
InChIKeyKFQNWGJLRNKOCA-UHFFFAOYSA-N
XLogP2.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-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-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine (CID 106142084) is 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine is CC(C)c1nsc(NCC(C)(C)CCN)n1.
What is the InChIKey of 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine?
The InChIKey is KFQNWGJLRNKOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-8(2)9-14-10(16-15-9)13-7-11(3,4)5-6-12/h8H,5-7,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine?
2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine is sourced from PubChem (CID 106142084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).