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

C17H23Cl2N5O2S — CID 126786202

IUPACN-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCN(C(=O)c2cnc(-c3ccccn3)s2)C1
InChIInChI=1S/C17H21N5O2S.2ClH/c18-6-8-20-15(23)12-4-3-9-22(11-12)17(24)14-10-21-16(25-14)13-5-1-2-7-19-13;;/h1-2,5,7,10,12H,3-4,6,8-9,11,18H2,(H,20,23);2*1H
InChIKeyDEYUPPTWTYVHLN-UHFFFAOYSA-N
MW432.38 g/mol
LogP1.98
Rot. Bonds5

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

N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 126786202) has the molecular formula C17H23Cl2N5O2S and a molecular weight of 432.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID126786202
Molecular FormulaC17H23Cl2N5O2S
Molecular Weight432.38 g/mol
Exact Mass431.09
IUPAC NameN-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCN(C(=O)c2cnc(-c3ccccn3)s2)C1
InChIInChI=1S/C17H21N5O2S.2ClH/c18-6-8-20-15(23)12-4-3-9-22(11-12)17(24)14-10-21-16(25-14)13-5-1-2-7-19-13;;/h1-2,5,7,10,12H,3-4,6,8-9,11,18H2,(H,20,23);2*1H
InChIKeyDEYUPPTWTYVHLN-UHFFFAOYSA-N
XLogP1.98
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119480750
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119480499
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119562862
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122159680
N-(2-aminoethyl)-1-[3-(pyridin-2-ylmethylsulfanyl)propanoyl]piperidine-3-carboxamide
CID 119481911
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 124592696

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride (CID 126786202) is N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride is Cl.Cl.NCCNC(=O)C1CCCN(C(=O)c2cnc(-c3ccccn3)s2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is DEYUPPTWTYVHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S.2ClH/c18-6-8-20-15(23)12-4-3-9-22(11-12)17(24)14-10-21-16(25-14)13-5-1-2-7-19-13;;/h1-2,5,7,10,12H,3-4,6,8-9,11,18H2,(H,20,23);2*1H.
What are the key properties of N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 432.38 g/mol, XLogP of 1.98, 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-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 126786202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).