N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C16H22Cl2N4OS — CID 119558250

IUPACN-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1cnc(-c2ccccn2)s1
InChIInChI=1S/C16H20N4OS.2ClH/c21-15(19-9-6-12-4-3-7-17-10-12)14-11-20-16(22-14)13-5-1-2-8-18-13;;/h1-2,5,8,11-12,17H,3-4,6-7,9-10H2,(H,19,21);2*1H
InChIKeyXHPHVUINPSVGTI-UHFFFAOYSA-N
MW389.35 g/mol
LogP3.17
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119558250) has the molecular formula C16H22Cl2N4OS and a molecular weight of 389.35 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119558250
Molecular FormulaC16H22Cl2N4OS
Molecular Weight389.35 g/mol
Exact Mass388.09
IUPAC NameN-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1cnc(-c2ccccn2)s1
InChIInChI=1S/C16H20N4OS.2ClH/c21-15(19-9-6-12-4-3-7-17-10-12)14-11-20-16(22-14)13-5-1-2-8-18-13;;/h1-2,5,8,11-12,17H,3-4,6-7,9-10H2,(H,19,21);2*1H
InChIKeyXHPHVUINPSVGTI-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-3-yl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119427844
N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119460276
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119557511
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
N-(4-aminocyclohexyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119477790
N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 119461328
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119556484
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120887407
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119458360
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119558250) is N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCCNC1)c1cnc(-c2ccccn2)s1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is XHPHVUINPSVGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS.2ClH/c21-15(19-9-6-12-4-3-7-17-10-12)14-11-20-16(22-14)13-5-1-2-8-18-13;;/h1-2,5,8,11-12,17H,3-4,6-7,9-10H2,(H,19,21);2*1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 389.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119558250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).