[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone

C16H20N2O3S — CID 110889629

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3CCO)cs2)o1
InChIInChI=1S/C16H20N2O3S/c1-11-5-6-14(21-11)15-17-13(10-22-15)16(20)18-8-3-2-4-12(18)7-9-19/h5-6,10,12,19H,2-4,7-9H2,1H3
InChIKeyIXADXFDZHNDZJN-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.09
Rot. Bonds4

About [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 110889629) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
PubChem CID110889629
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3CCO)cs2)o1
InChIInChI=1S/C16H20N2O3S/c1-11-5-6-14(21-11)15-17-13(10-22-15)16(20)18-8-3-2-4-12(18)7-9-19/h5-6,10,12,19H,2-4,7-9H2,1H3
InChIKeyIXADXFDZHNDZJN-UHFFFAOYSA-N
XLogP3.09
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 32598903
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66378378
[4-(methylaminomethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119546890
(3-hydroxypiperidin-1-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889567
(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 51962685
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 119650689
[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 99778983
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 124573522
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95591962
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
CID 58924946
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone (CID 110889629) is [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2nc(C(=O)N3CCCCC3CCO)cs2)o1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is IXADXFDZHNDZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-5-6-14(21-11)15-17-13(10-22-15)16(20)18-8-3-2-4-12(18)7-9-19/h5-6,10,12,19H,2-4,7-9H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 320.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 110889629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).