methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

C12H18N2O3S — CID 80569455

IUPACmethyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCCC(CO)C2)nc1C
InChIInChI=1S/C12H18N2O3S/c1-8-10(11(16)17-2)18-12(13-8)14-5-3-4-9(6-14)7-15/h9,15H,3-7H2,1-2H3
InChIKeyFZFOZWPMQQOGSF-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.45
Rot. Bonds3

About methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80569455) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80569455
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCCC(CO)C2)nc1C
InChIInChI=1S/C12H18N2O3S/c1-8-10(11(16)17-2)18-12(13-8)14-5-3-4-9(6-14)7-15/h9,15H,3-7H2,1-2H3
InChIKeyFZFOZWPMQQOGSF-UHFFFAOYSA-N
XLogP1.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570547
methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 78916486
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
methyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26472142
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 106587519
methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
CID 103418259
4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 107509470
4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 106589586
methyl 2-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate;dihydrochloride
CID 167828237
4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82427919
methyl 4-amino-2-(3-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 110277637

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 80569455) is methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCCC(CO)C2)nc1C.
What is the InChIKey of methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FZFOZWPMQQOGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-10(11(16)17-2)18-12(13-8)14-5-3-4-9(6-14)7-15/h9,15H,3-7H2,1-2H3.
What are the key properties of methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).