1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine

C11H21N3S — CID 105078291

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1snnc1C(C)(C)C)C(C)C
InChIInChI=1S/C11H21N3S/c1-7(2)8(12-6)9-10(11(3,4)5)13-14-15-9/h7-8,12H,1-6H3
InChIKeyMKJDXHRLPGIDBW-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine

1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine (PubChem CID 105078291) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine
PubChem CID105078291
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1snnc1C(C)(C)C)C(C)C
InChIInChI=1S/C11H21N3S/c1-7(2)8(12-6)9-10(11(3,4)5)13-14-15-9/h7-8,12H,1-6H3
InChIKeyMKJDXHRLPGIDBW-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-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

1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine
CID 105163765
1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 105170540
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177764
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316
1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
CID 105116559
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134552
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105173976
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148734
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105113420
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine
CID 105183959

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine (CID 105078291) is 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine is CNC(c1snnc1C(C)(C)C)C(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is MKJDXHRLPGIDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-7(2)8(12-6)9-10(11(3,4)5)13-14-15-9/h7-8,12H,1-6H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 105078291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).