N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride

C16H22Cl2N4O3S — CID 119480750

IUPACN-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCN(C(=O)c2cnc(-c3ccco3)s2)C1
InChIInChI=1S/C16H20N4O3S.2ClH/c17-5-6-18-14(21)11-3-1-7-20(10-11)16(22)13-9-19-15(24-13)12-4-2-8-23-12;;/h2,4,8-9,11H,1,3,5-7,10,17H2,(H,18,21);2*1H
InChIKeyPKENBJIPGIJSCM-UHFFFAOYSA-N
MW421.35 g/mol
LogP2.17
Rot. Bonds5

About N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119480750) has the molecular formula C16H22Cl2N4O3S and a molecular weight of 421.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119480750
Molecular FormulaC16H22Cl2N4O3S
Molecular Weight421.35 g/mol
Exact Mass420.08
IUPAC NameN-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCN(C(=O)c2cnc(-c3ccco3)s2)C1
InChIInChI=1S/C16H20N4O3S.2ClH/c17-5-6-18-14(21)11-3-1-7-20(10-11)16(22)13-9-19-15(24-13)12-4-2-8-23-12;;/h2,4,8-9,11H,1,3,5-7,10,17H2,(H,18,21);2*1H
InChIKeyPKENBJIPGIJSCM-UHFFFAOYSA-N
XLogP2.17
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163
N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 126786202
N-(2-aminoethyl)-1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119482070
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
[3-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119594711
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95314942
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341522
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158057
N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 119663063
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119623467

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride (CID 119480750) is N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.NCCNC(=O)C1CCCN(C(=O)c2cnc(-c3ccco3)s2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is PKENBJIPGIJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S.2ClH/c17-5-6-18-14(21)11-3-1-7-20(10-11)16(22)13-9-19-15(24-13)12-4-2-8-23-12;;/h2,4,8-9,11H,1,3,5-7,10,17H2,(H,18,21);2*1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 421.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).