5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride

C20H24Cl2N4S — CID 167995606

IUPAC5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(Cc2cnc(Nc3cccc(C4CCNCC4)n3)s2)cc1
InChIInChI=1S/C20H22N4S.2ClH/c1-2-5-15(6-3-1)13-17-14-22-20(25-17)24-19-8-4-7-18(23-19)16-9-11-21-12-10-16;;/h1-8,14,16,21H,9-13H2,(H,22,23,24);2*1H
InChIKeyYJDGCULGIQTVGP-UHFFFAOYSA-N
MW423.41 g/mol
LogP5.18
Rot. Bonds5

About 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride

5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 167995606) has the molecular formula C20H24Cl2N4S and a molecular weight of 423.41 g/mol. Its IUPAC name is 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride
PubChem CID167995606
Molecular FormulaC20H24Cl2N4S
Molecular Weight423.41 g/mol
Exact Mass422.11
IUPAC Name5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(Cc2cnc(Nc3cccc(C4CCNCC4)n3)s2)cc1
InChIInChI=1S/C20H22N4S.2ClH/c1-2-5-15(6-3-1)13-17-14-22-20(25-17)24-19-8-4-7-18(23-19)16-9-11-21-12-10-16;;/h1-8,14,16,21H,9-13H2,(H,22,23,24);2*1H
InChIKeyYJDGCULGIQTVGP-UHFFFAOYSA-N
XLogP5.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.41
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-5-piperidin-4-yl-1,3-thiazole
CID 18187536
6-piperidin-4-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 95846509
5-[(3-fluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole
CID 93202830
5-methyl-N-[6-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 155906903
morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 132778578
5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 171687495
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 9171281
5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride
CID 171699913
4-(2-benzyl-1H-imidazol-5-yl)piperidine
CID 18461127
2-benzyl-6-[(3R)-piperidin-3-yl]pyridine
CID 95808751
5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
CID 118759817
N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 155985260

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride (CID 167995606) is 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.c1ccc(Cc2cnc(Nc3cccc(C4CCNCC4)n3)s2)cc1.
What is the InChIKey of 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is YJDGCULGIQTVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S.2ClH/c1-2-5-15(6-3-1)13-17-14-22-20(25-17)24-19-8-4-7-18(23-19)16-9-11-21-12-10-16;;/h1-8,14,16,21H,9-13H2,(H,22,23,24);2*1H.
What are the key properties of 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride?
5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 423.41 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 167995606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).