N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C13H22N4OS — CID 63253107

IUPACN-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1csc(N2CCCC(C(=O)NCCN)C2)n1
InChIInChI=1S/C13H22N4OS/c1-2-11-9-19-13(16-11)17-7-3-4-10(8-17)12(18)15-6-5-14/h9-10H,2-8,14H2,1H3,(H,15,18)
InChIKeyGNFYFDUXUDVILR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.00
Rot. Bonds5

About N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 63253107) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID63253107
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1csc(N2CCCC(C(=O)NCCN)C2)n1
InChIInChI=1S/C13H22N4OS/c1-2-11-9-19-13(16-11)17-7-3-4-10(8-17)12(18)15-6-5-14/h9-10H,2-8,14H2,1H3,(H,15,18)
InChIKeyGNFYFDUXUDVILR-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 83156646
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974
N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
N-(2-aminoethyl)-1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 66333680
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 63252612
(2S,5R)-5-(aminomethyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 120800688
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482336
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 63253107) is N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is CCc1csc(N2CCCC(C(=O)NCCN)C2)n1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is GNFYFDUXUDVILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-11-9-19-13(16-11)17-7-3-4-10(8-17)12(18)15-6-5-14/h9-10H,2-8,14H2,1H3,(H,15,18).
What are the key properties of N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63253107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).