[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone

C13H22N4OS — CID 65209876

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)N1CCCCC1CN
InChIInChI=1S/C13H22N4OS/c1-13(2,3)11-10(19-16-15-11)12(18)17-7-5-4-6-9(17)8-14/h9H,4-8,14H2,1-3H3
InChIKeySHHZCWQBUOCLJJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.79
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone

[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone (PubChem CID 65209876) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
PubChem CID65209876
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)N1CCCCC1CN
InChIInChI=1S/C13H22N4OS/c1-13(2,3)11-10(19-16-15-11)12(18)17-7-5-4-6-9(17)8-14/h9H,4-8,14H2,1-3H3
InChIKeySHHZCWQBUOCLJJ-UHFFFAOYSA-N
XLogP1.79
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone 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-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 65209829
1-(4-tert-butylthiadiazole-5-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77059647
1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 65206215
(4-tert-butylthiadiazol-5-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784557
1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 86807038
1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one
CID 79548585
(4-bromopiperidin-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 80662682
3-amino-N-[[1-(4-ethylthiadiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579438
(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 65210533
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
(4-tert-butylthiadiazol-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 65209884

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone (CID 65209876) is [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone is CC(C)(C)c1nnsc1C(=O)N1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone?
The InChIKey is SHHZCWQBUOCLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)11-10(19-16-15-11)12(18)17-7-5-4-6-9(17)8-14/h9H,4-8,14H2,1-3H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone has a molecular weight of 282.41 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65209876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).