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

C18H24N4O2S — CID 56759508

IUPAC[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCCNc1nc(C)c(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)s1
InChIInChI=1S/C18H24N4O2S/c1-4-19-17-21-13(3)15(25-17)16(23)22-9-7-18(24,8-10-22)14-6-5-12(2)11-20-14/h5-6,11,24H,4,7-10H2,1-3H3,(H,19,21)
InChIKeyZUPVLSXGHJZEQN-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.71
Rot. Bonds4

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

[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 56759508) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID56759508
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCCNc1nc(C)c(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)s1
InChIInChI=1S/C18H24N4O2S/c1-4-19-17-21-13(3)15(25-17)16(23)22-9-7-18(24,8-10-22)14-6-5-12(2)11-20-14/h5-6,11,24H,4,7-10H2,1-3H3,(H,19,21)
InChIKeyZUPVLSXGHJZEQN-UHFFFAOYSA-N
XLogP2.71
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 54742332
2-(4-Hydroxy-2-oxopyridin-1(2H)-yl)-4-methyl-N-(pyridin-4-ylmethyl)thiazole-5-carboxamide
CID 54742337
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2-(methylamino)thiazol-4-yl)acetamide
CID 46881872
N-Benzyl-4-methyl-2-(2-oxo-4-(pyridin-2-ylmethoxy)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24983812
N-Benzyl-4-methyl-2-(2-oxo-4-(pyridin-3-ylmethoxy)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24985612
7-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 87215102
2-[(3-Methylphenyl)amino]-4-(4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 44818115
N-ethyl-4-methyl-5-{[4-(3-methyl-2-pyridinyl)-1-piperazinyl]carbonyl}-1,3-thiazol-2-amine
CID 70772004
{4-Methyl-2-[(4-methyl-2-pyridyl)amino]-1,3-thiazol-5-yl}(piperidino)methanone
CID 53200020
2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53365480
2-(ethylamino)-4-methyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-1,3-thiazole-5-carboxamide
CID 100051279
4-[[2-[[5-[[[2-(dimethylamino)acetyl]amino]methyl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]sulfanyl]-3-fluoro-N-(2-hydroxy-2-phenylpentyl)pyridine-2-carboxamide
CID 24958115

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (CID 56759508) is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is CCNc1nc(C)c(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)s1.
What is the InChIKey of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is ZUPVLSXGHJZEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-4-19-17-21-13(3)15(25-17)16(23)22-9-7-18(24,8-10-22)14-6-5-12(2)11-20-14/h5-6,11,24H,4,7-10H2,1-3H3,(H,19,21).
What are the key properties of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 360.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56759508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).