methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate

C11H16N2O2S — CID 116966375

IUPACmethyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1nc(C2CCN(C)CC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-13-5-3-8(4-6-13)9-7-16-10(12-9)11(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyLALZPYQMVLUNJA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.74
Rot. Bonds2

About methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate

methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate (PubChem CID 116966375) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
PubChem CID116966375
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1nc(C2CCN(C)CC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-13-5-3-8(4-6-13)9-7-16-10(12-9)11(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyLALZPYQMVLUNJA-UHFFFAOYSA-N
XLogP1.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 68792488
CID 68792488
4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile
CID 116966279
4-cyclopropyl-1,3-thiazole-2-carboxylic acid
CID 51063804
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
4-cyclobutyl-1,3-thiazole-2-carboxylic acid
CID 86646410
3-amino-3-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966886
1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116964946
2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 115042295
4-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116968995
4-cyclobutyl-1,3-thiazole-2-carboxamide
CID 116967982
2-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153259
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 116889343

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate (CID 116966375) is methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate is COC(=O)c1nc(C2CCN(C)CC2)cs1.
What is the InChIKey of methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is LALZPYQMVLUNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13-5-3-8(4-6-13)9-7-16-10(12-9)11(14)15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate?
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116966375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).