[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

C13H22N4OS — CID 65204638

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C13H22N4OS/c1-8(2)11-12(19-16-15-11)13(18)17-7-5-4-6-10(17)9(3)14/h8-10H,4-7,14H2,1-3H3
InChIKeyNTBFAIICKWKZCZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.00
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 65204638) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID65204638
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C13H22N4OS/c1-8(2)11-12(19-16-15-11)13(18)17-7-5-4-6-10(17)9(3)14/h8-10H,4-7,14H2,1-3H3
InChIKeyNTBFAIICKWKZCZ-UHFFFAOYSA-N
XLogP2.00
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-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

1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one
CID 79548585
[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 119434857
[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103805490
cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105125018
N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059620
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 110091329
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671402
[2-(1-aminoethyl)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119436791
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 81476373
[2-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone;hydrochloride
CID 119434773

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 65204638) is [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)N1CCCCC1C(C)N.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is NTBFAIICKWKZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-8(2)11-12(19-16-15-11)13(18)17-7-5-4-6-10(17)9(3)14/h8-10H,4-7,14H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 282.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65204638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).