[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H20N2O3S — CID 131891485

IUPAC[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCCCC2c2nccs2)o1
InChIInChI=1S/C18H20N2O3S/c1-18(2,22)9-8-13-6-7-15(23-13)17(21)20-11-4-3-5-14(20)16-19-10-12-24-16/h6-7,10,12,14,22H,3-5,11H2,1-2H3
InChIKeyLGWNXSPSPGRYCO-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.23
Rot. Bonds2

About [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 131891485) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID131891485
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCCCC2c2nccs2)o1
InChIInChI=1S/C18H20N2O3S/c1-18(2,22)9-8-13-6-7-15(23-13)17(21)20-11-4-3-5-14(20)16-19-10-12-24-16/h6-7,10,12,14,22H,3-5,11H2,1-2H3
InChIKeyLGWNXSPSPGRYCO-UHFFFAOYSA-N
XLogP3.23
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 131904764
(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95770186
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99928980
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95776588
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818290
[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 129425363
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 96576018

Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 131891485) is [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC(C)(O)C#Cc1ccc(C(=O)N2CCCCC2c2nccs2)o1.
What is the InChIKey of [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is LGWNXSPSPGRYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-18(2,22)9-8-13-6-7-15(23-13)17(21)20-11-4-3-5-14(20)16-19-10-12-24-16/h6-7,10,12,14,22H,3-5,11H2,1-2H3.
What are the key properties of [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 344.44 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131891485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).