N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine

C9H17N3S — CID 131107108

IUPACN-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)CC(C)(C)C)s1
InChIInChI=1S/C9H17N3S/c1-7-10-11-8(13-7)12(5)6-9(2,3)4/h6H2,1-5H3
InChIKeyKKELJFWSKZNRGM-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.33
Rot. Bonds2

About N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine

N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 131107108) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID131107108
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)CC(C)(C)C)s1
InChIInChI=1S/C9H17N3S/c1-7-10-11-8(13-7)12(5)6-9(2,3)4/h6H2,1-5H3
InChIKeyKKELJFWSKZNRGM-UHFFFAOYSA-N
XLogP2.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-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-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 131107108) is N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)CC(C)(C)C)s1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KKELJFWSKZNRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7-10-11-8(13-7)12(5)6-9(2,3)4/h6H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131107108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).