N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine

C10H16N6S — CID 105160515

IUPACN-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
SMILESCNC(Cc1ncnn1C(C)C)c1cnns1
InChIInChI=1S/C10H16N6S/c1-7(2)16-10(12-6-14-16)4-8(11-3)9-5-13-15-17-9/h5-8,11H,4H2,1-3H3
InChIKeyAIRUEWNTJLFBLG-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.21
Rot. Bonds5

About N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine

N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105160515) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID105160515
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC NameN-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
SMILESCNC(Cc1ncnn1C(C)C)c1cnns1
InChIInChI=1S/C10H16N6S/c1-7(2)16-10(12-6-14-16)4-8(11-3)9-5-13-15-17-9/h5-8,11H,4H2,1-3H3
InChIKeyAIRUEWNTJLFBLG-UHFFFAOYSA-N
XLogP1.21
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107892
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160454
1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999475
1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999769
1,1,1-trifluoro-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999794
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999611
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105164975
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107145
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105136127
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105188368
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999719

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine (CID 105160515) is N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine is CNC(Cc1ncnn1C(C)C)c1cnns1.
What is the InChIKey of N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is AIRUEWNTJLFBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-7(2)16-10(12-6-14-16)4-8(11-3)9-5-13-15-17-9/h5-8,11H,4H2,1-3H3.
What are the key properties of N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine?
N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 252.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105160515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).