3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine

C11H18N6S — CID 104952653

IUPAC3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCn1cnnc1CNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C11H18N6S/c1-5-17-7-13-15-8(17)6-12-10-14-9(16-18-10)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14,16)
InChIKeyNUPGZPRBYZRJEK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.06
Rot. Bonds4

About 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 104952653) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID104952653
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC Name3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCn1cnnc1CNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C11H18N6S/c1-5-17-7-13-15-8(17)6-12-10-14-9(16-18-10)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14,16)
InChIKeyNUPGZPRBYZRJEK-UHFFFAOYSA-N
XLogP2.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine 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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106304450
3-tert-butyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133495057
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106304580
3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 112670593
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
N-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65274045
4-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzonitrile
CID 65271687
3-tert-butyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952782
3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271142
6-bromo-2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114170989
2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine
CID 106301855

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 104952653) is 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine is CCn1cnnc1CNc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NUPGZPRBYZRJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-5-17-7-13-15-8(17)6-12-10-14-9(16-18-10)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14,16).
What are the key properties of 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 266.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104952653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).