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

C11H17ClN4OS — CID 83156646

IUPACN-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C11H17ClN4OS/c12-9-7-18-11(15-9)16-5-1-2-8(6-16)10(17)14-4-3-13/h7-8H,1-6,13H2,(H,14,17)
InChIKeyDGEWAEYNLXLAGL-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.09
Rot. Bonds4

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

N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 83156646) has the molecular formula C11H17ClN4OS and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID83156646
Molecular FormulaC11H17ClN4OS
Molecular Weight288.80 g/mol
Exact Mass288.08
IUPAC NameN-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C11H17ClN4OS/c12-9-7-18-11(15-9)16-5-1-2-8(6-16)10(17)14-4-3-13/h7-8H,1-6,13H2,(H,14,17)
InChIKeyDGEWAEYNLXLAGL-UHFFFAOYSA-N
XLogP1.09
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 63253107
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974
N-(2-aminoethyl)-1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119481732
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119480398
N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
N-(2-aminoethyl)-1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 66333680
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 83156646) is N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(c2nc(Cl)cs2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is DGEWAEYNLXLAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OS/c12-9-7-18-11(15-9)16-5-1-2-8(6-16)10(17)14-4-3-13/h7-8H,1-6,13H2,(H,14,17).
What are the key properties of N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 1.09, 4 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-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 83156646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).