[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

C18H24N4O2S — CID 56758925

IUPAC[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3csc(CN(C)C)n3)CC2)nc1
InChIInChI=1S/C18H24N4O2S/c1-13-4-5-15(19-10-13)18(24)6-8-22(9-7-18)17(23)14-12-25-16(20-14)11-21(2)3/h4-5,10,12,24H,6-9,11H2,1-3H3
InChIKeyOLGJERKYFLQRHA-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.03
Rot. Bonds4

About [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 56758925) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID56758925
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3csc(CN(C)C)n3)CC2)nc1
InChIInChI=1S/C18H24N4O2S/c1-13-4-5-15(19-10-13)18(24)6-8-22(9-7-18)17(23)14-12-25-16(20-14)11-21(2)3/h4-5,10,12,24H,6-9,11H2,1-3H3
InChIKeyOLGJERKYFLQRHA-UHFFFAOYSA-N
XLogP2.03
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(2-(pyridin-4-yl)thiazol-4-yl)methanone
CID 54580194
US10150762, Example 18/1
CID 121303414
1-Phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49795582
(S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4-methylpyridin-3-yl)-N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)thiazole-2-carboxamide
CID 121303341
US10150762, Example 18/2
CID 121303345
N,N-diethyl-3-[2-(1-hydroxy-1-pyridin-4-ylethyl)-1,3-thiazol-4-yl]benzamide
CID 46948523
(3-Fluorophenyl)-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 100647735
(4-Fluorophenyl)-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 100647760
3-[4-(4-Benzylpiperidine-1-carbonyl)-1,3-thiazol-2-YL]pyridine
CID 53035095
(4-Propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 53035125
1-Benzyl-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100647401
(2-propyl-1,3-thiazol-4-yl)-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]methanone
CID 95198377

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (CID 56758925) is [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is Cc1ccc(C2(O)CCN(C(=O)c3csc(CN(C)C)n3)CC2)nc1.
What is the InChIKey of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is OLGJERKYFLQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-4-5-15(19-10-13)18(24)6-8-22(9-7-18)17(23)14-12-25-16(20-14)11-21(2)3/h4-5,10,12,24H,6-9,11H2,1-3H3.
What are the key properties of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 360.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56758925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).