methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate

C12H18N2O2S — CID 80572856

IUPACmethyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CC(C)CCC2C)s1
InChIInChI=1S/C12H18N2O2S/c1-8-4-5-9(2)14(7-8)12-13-6-10(17-12)11(15)16-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyNMQSIMVKHOUEOG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.55
Rot. Bonds2

About methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate

methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80572856) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID80572856
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CC(C)CCC2C)s1
InChIInChI=1S/C12H18N2O2S/c1-8-4-5-9(2)14(7-8)12-13-6-10(17-12)11(15)16-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyNMQSIMVKHOUEOG-UHFFFAOYSA-N
XLogP2.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (CID 80572856) is methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CC(C)CCC2C)s1.
What is the InChIKey of methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is NMQSIMVKHOUEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-4-5-9(2)14(7-8)12-13-6-10(17-12)11(15)16-3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).