[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone

C10H16N4OS — CID 65216121

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESCC(N)C1CCCN(C(=O)c2csnn2)C1
InChIInChI=1S/C10H16N4OS/c1-7(11)8-3-2-4-14(5-8)10(15)9-6-16-13-12-9/h6-8H,2-5,11H2,1H3
InChIKeyWQMYAUWZSQSLTN-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.74
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 65216121) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID65216121
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESCC(N)C1CCCN(C(=O)c2csnn2)C1
InChIInChI=1S/C10H16N4OS/c1-7(11)8-3-2-4-14(5-8)10(15)9-6-16-13-12-9/h6-8H,2-5,11H2,1H3
InChIKeyWQMYAUWZSQSLTN-UHFFFAOYSA-N
XLogP0.74
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
[3-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119592949
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 124688855
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 124691951
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone (CID 65216121) is [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone is CC(N)C1CCCN(C(=O)c2csnn2)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is WQMYAUWZSQSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(11)8-3-2-4-14(5-8)10(15)9-6-16-13-12-9/h6-8H,2-5,11H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 65216121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).