N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

C13H22N4OS — CID 63251974

IUPACN-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nc(CN2CCCC(C(=O)NCCN)C2)cs1
InChIInChI=1S/C13H22N4OS/c1-10-16-12(9-19-10)8-17-6-2-3-11(7-17)13(18)15-5-4-14/h9,11H,2-8,14H2,1H3,(H,15,18)
InChIKeyHNWTYPWIJDXPKN-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.74
Rot. Bonds5

About N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 63251974) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID63251974
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nc(CN2CCCC(C(=O)NCCN)C2)cs1
InChIInChI=1S/C13H22N4OS/c1-10-16-12(9-19-10)8-17-6-2-3-11(7-17)13(18)15-5-4-14/h9,11H,2-8,14H2,1H3,(H,15,18)
InChIKeyHNWTYPWIJDXPKN-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 63253183
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536
N-(2-aminoethyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidine-3-carboxamide
CID 120837331
N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 63253107
N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide
CID 63253060
N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 119916720
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 103198388
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (CID 63251974) is N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is Cc1nc(CN2CCCC(C(=O)NCCN)C2)cs1.
What is the InChIKey of N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is HNWTYPWIJDXPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10-16-12(9-19-10)8-17-6-2-3-11(7-17)13(18)15-5-4-14/h9,11H,2-8,14H2,1H3,(H,15,18).
What are the key properties of N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 0.74, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63251974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).