5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride

C20H24Cl2N4S — CID 171687495

IUPAC5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cnc(Nc3cc(CC4CCNCC4)ccn3)s2)cc1
InChIInChI=1S/C20H22N4S.2ClH/c1-2-4-17(5-3-1)18-14-23-20(25-18)24-19-13-16(8-11-22-19)12-15-6-9-21-10-7-15;;/h1-5,8,11,13-15,21H,6-7,9-10,12H2,(H,22,23,24);2*1H
InChIKeyNUTKQINUPQAFCI-UHFFFAOYSA-N
MW423.41 g/mol
LogP5.33
Rot. Bonds5

About 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride

5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 171687495) has the molecular formula C20H24Cl2N4S and a molecular weight of 423.41 g/mol. Its IUPAC name is 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
PubChem CID171687495
Molecular FormulaC20H24Cl2N4S
Molecular Weight423.41 g/mol
Exact Mass422.11
IUPAC Name5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cnc(Nc3cc(CC4CCNCC4)ccn3)s2)cc1
InChIInChI=1S/C20H22N4S.2ClH/c1-2-4-17(5-3-1)18-14-23-20(25-18)24-19-13-16(8-11-22-19)12-15-6-9-21-10-7-15;;/h1-5,8,11,13-15,21H,6-7,9-10,12H2,(H,22,23,24);2*1H
InChIKeyNUTKQINUPQAFCI-UHFFFAOYSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 90097166
5-phenyl-N-[4-(2-pyrrolidin-2-ylethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 71479411
5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 129247013
5-phenyl-N-[4-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 21132210
N-[4-[[(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]methyl]-2-pyridinyl]-5-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 129387106
5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride
CID 171699913
N-[6-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;hydrochloride
CID 171688399
5-methyl-N-[6-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 155906903
5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979137
5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride
CID 167995606
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride (CID 171687495) is 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.c1ccc(-c2cnc(Nc3cc(CC4CCNCC4)ccn3)s2)cc1.
What is the InChIKey of 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is NUTKQINUPQAFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S.2ClH/c1-2-4-17(5-3-1)18-14-23-20(25-18)24-19-13-16(8-11-22-19)12-15-6-9-21-10-7-15;;/h1-5,8,11,13-15,21H,6-7,9-10,12H2,(H,22,23,24);2*1H.
What are the key properties of 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride?
5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 423.41 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 171687495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).