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

C12H20N4OS — CID 65209829

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCCC1CN
InChIInChI=1S/C12H20N4OS/c1-2-5-10-11(18-15-14-10)12(17)16-7-4-3-6-9(16)8-13/h9H,2-8,13H2,1H3
InChIKeySCYUNBBBDWOVMT-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.44
Rot. Bonds4

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

[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 65209829) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID65209829
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCCC1CN
InChIInChI=1S/C12H20N4OS/c1-2-5-10-11(18-15-14-10)12(17)16-7-4-3-6-9(16)8-13/h9H,2-8,13H2,1H3
InChIKeySCYUNBBBDWOVMT-UHFFFAOYSA-N
XLogP1.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325
[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
CID 65209876
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide
CID 77059648
3-amino-N-[[1-(4-ethylthiadiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579438
(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569786
(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649161
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177
1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one
CID 79548585
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 65209829) is [2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is SCYUNBBBDWOVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-5-10-11(18-15-14-10)12(17)16-7-4-3-6-9(16)8-13/h9H,2-8,13H2,1H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 268.39 g/mol, XLogP of 1.44, 4 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-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65209829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).