(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C11H16N2O2S — CID 80707453

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(C)(O)CC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)10(14)13-5-3-11(2,15)4-6-13/h7,15H,3-6H2,1-2H3
InChIKeyRQUCHKNBEDDKMP-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.44
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 80707453) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID80707453
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(C)(O)CC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)10(14)13-5-3-11(2,15)4-6-13/h7,15H,3-6H2,1-2H3
InChIKeyRQUCHKNBEDDKMP-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(2-piperidin-1-ylmethyl-thiazol-4-yl)-methanone
CID 11573599
[4-(2-Hydroxybutyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53624902
Methyl 4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-1-piperazinecarboxylate
CID 72937370
(3S*,4R*)-4-(hydroxymethyl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinol
CID 56916632
8-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705036
(3R*,4R*)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72861374
(3R*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72868948
(1R*,3S*)-7-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72941082
2-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide
CID 52317008
(3R*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-3,4-dimethyl-3-pyrrolidinol
CID 72886932
[2-(2-Methylpropyl)-1,3-thiazol-4-yl]-(1,3-oxazinan-3-yl)methanone
CID 136542934
[(3R,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 164632449

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 80707453) is (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC(C)(O)CC2)cs1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is RQUCHKNBEDDKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)10(14)13-5-3-11(2,15)4-6-13/h7,15H,3-6H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 80707453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).