1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C20H23N5S — CID 47039005

IUPAC1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2nc(CNCc3ccc(N4CCCCC4)nc3)cs2)nc1
InChIInChI=1S/C20H23N5S/c1-4-10-25(11-5-1)19-8-7-16(13-23-19)12-21-14-17-15-26-20(24-17)18-6-2-3-9-22-18/h2-3,6-9,13,15,21H,1,4-5,10-12,14H2
InChIKeyONTHCSIXXNKEJN-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.88
Rot. Bonds6

About 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 47039005) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID47039005
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2nc(CNCc3ccc(N4CCCCC4)nc3)cs2)nc1
InChIInChI=1S/C20H23N5S/c1-4-10-25(11-5-1)19-8-7-16(13-23-19)12-21-14-17-15-26-20(24-17)18-6-2-3-9-22-18/h2-3,6-9,13,15,21H,1,4-5,10-12,14H2
InChIKeyONTHCSIXXNKEJN-UHFFFAOYSA-N
XLogP3.88
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 60711332
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 103701918
1-(6-piperidin-1-yl-3-pyridinyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 56824519
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine
CID 38048603
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967548
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 63280035
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903
5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
CID 107302977

Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 47039005) is 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is c1ccc(-c2nc(CNCc3ccc(N4CCCCC4)nc3)cs2)nc1.
What is the InChIKey of 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is ONTHCSIXXNKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-4-10-25(11-5-1)19-8-7-16(13-23-19)12-21-14-17-15-26-20(24-17)18-6-2-3-9-22-18/h2-3,6-9,13,15,21H,1,4-5,10-12,14H2.
What are the key properties of 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 365.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 47039005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).