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

C12H20N4OS — CID 63253183

IUPACN-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cscn2)C1
InChIInChI=1S/C12H20N4OS/c13-3-4-14-12(17)10-2-1-5-16(6-10)7-11-8-18-9-15-11/h8-10H,1-7,13H2,(H,14,17)
InChIKeyOWKRTBZYDROTEP-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.43
Rot. Bonds5

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

N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 63253183) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
PubChem CID63253183
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cscn2)C1
InChIInChI=1S/C12H20N4OS/c13-3-4-14-12(17)10-2-1-5-16(6-10)7-11-8-18-9-15-11/h8-10H,1-7,13H2,(H,14,17)
InChIKeyOWKRTBZYDROTEP-UHFFFAOYSA-N
XLogP0.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
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
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 64829338
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide (CID 63253183) is N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2cscn2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OWKRTBZYDROTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c13-3-4-14-12(17)10-2-1-5-16(6-10)7-11-8-18-9-15-11/h8-10H,1-7,13H2,(H,14,17).
What are the key properties of N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 0.43, 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-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63253183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).