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

C12H18N2O3S — CID 80571616

IUPACmethyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOCC1CCN(c2ncc(C(=O)OC)s2)CC1
InChIInChI=1S/C12H18N2O3S/c1-16-8-9-3-5-14(6-4-9)12-13-7-10(18-12)11(15)17-2/h7,9H,3-6,8H2,1-2H3
InChIKeyRYUIRJYPYNUDMG-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.79
Rot. Bonds4

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

methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 80571616) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID80571616
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOCC1CCN(c2ncc(C(=O)OC)s2)CC1
InChIInChI=1S/C12H18N2O3S/c1-16-8-9-3-5-14(6-4-9)12-13-7-10(18-12)11(15)17-2/h7,9H,3-6,8H2,1-2H3
InChIKeyRYUIRJYPYNUDMG-UHFFFAOYSA-N
XLogP1.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 89267413
CID 89267413
methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
CID 80571882
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571323
methyl 2-(4-tert-butylazepan-1-yl)-1,3-thiazole-5-carboxylate
CID 80572894
2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 71208660
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carboxylate
CID 80572955
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 64581416
methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 80571506
methyl 2-(4-benzylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 69197930
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 104961724
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
methyl 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazole-5-carboxylate
CID 80571298

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 80571616) is methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate is COCC1CCN(c2ncc(C(=O)OC)s2)CC1.
What is the InChIKey of methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is RYUIRJYPYNUDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-16-8-9-3-5-14(6-4-9)12-13-7-10(18-12)11(15)17-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).