5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride

C20H23ClN4S — CID 171699913

IUPAC5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.c1ccc(-c2cnc(Nc3cccc(CC4CCCNC4)n3)s2)cc1
InChIInChI=1S/C20H22N4S.ClH/c1-2-7-16(8-3-1)18-14-22-20(25-18)24-19-10-4-9-17(23-19)12-15-6-5-11-21-13-15;/h1-4,7-10,14-15,21H,5-6,11-13H2,(H,22,23,24);1H
InChIKeySIHYOGVBFFSZBQ-UHFFFAOYSA-N
MW386.95 g/mol
LogP4.91
Rot. Bonds5

About 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride

5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 171699913) has the molecular formula C20H23ClN4S and a molecular weight of 386.95 g/mol. Its IUPAC name is 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID171699913
Molecular FormulaC20H23ClN4S
Molecular Weight386.95 g/mol
Exact Mass386.13
IUPAC Name5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.c1ccc(-c2cnc(Nc3cccc(CC4CCCNC4)n3)s2)cc1
InChIInChI=1S/C20H22N4S.ClH/c1-2-7-16(8-3-1)18-14-22-20(25-18)24-19-10-4-9-17(23-19)12-15-6-5-11-21-13-15;/h1-4,7-10,14-15,21H,5-6,11-13H2,(H,22,23,24);1H
InChIKeySIHYOGVBFFSZBQ-UHFFFAOYSA-N
XLogP4.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;hydrochloride
CID 171688399
N-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ylmethyl)-2-pyridinyl]-5-(4-fluorophenyl)-1,3-thiazol-2-amine;dihydrochloride
CID 90097120
5-methyl-N-[6-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 155906903
5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 71479429
5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 129247013
5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 171687495
[3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol
CID 132771016
2-[[(3R)-piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridine
CID 95846194
N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine
CID 95825517
5-(4-fluorophenyl)-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 90097166
5-benzyl-N-(6-piperidin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride
CID 167995606
3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide
CID 110257586

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride (CID 171699913) is 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride is Cl.c1ccc(-c2cnc(Nc3cccc(CC4CCCNC4)n3)s2)cc1.
What is the InChIKey of 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is SIHYOGVBFFSZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S.ClH/c1-2-7-16(8-3-1)18-14-22-20(25-18)24-19-10-4-9-17(23-19)12-15-6-5-11-21-13-15;/h1-4,7-10,14-15,21H,5-6,11-13H2,(H,22,23,24);1H.
What are the key properties of 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride?
5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 386.95 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 171699913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).