N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C15H20Cl2N4OS — CID 119460276

IUPACN-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCNC1)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C15H18N4OS.2ClH/c20-14(18-9-11-2-1-5-17-8-11)13-10-19-15(21-13)12-3-6-16-7-4-12;;/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,18,20);2*1H
InChIKeyYTKMEFNADIYLQV-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.78
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119460276) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119460276
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCNC1)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C15H18N4OS.2ClH/c20-14(18-9-11-2-1-5-17-8-11)13-10-19-15(21-13)12-3-6-16-7-4-12;;/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,18,20);2*1H
InChIKeyYTKMEFNADIYLQV-UHFFFAOYSA-N
XLogP2.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-3-yl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424673
N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119558250
2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119461121
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119463278
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431
N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119463068

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119460276) is N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCNC1)c1cnc(-c2ccncc2)s1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is YTKMEFNADIYLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.2ClH/c20-14(18-9-11-2-1-5-17-8-11)13-10-19-15(21-13)12-3-6-16-7-4-12;;/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,18,20);2*1H.
What are the key properties of N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 375.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).