ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate

C13H20N2O2S — CID 65168577

IUPACethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc(C)c(C)s2)C1
InChIInChI=1S/C13H20N2O2S/c1-4-17-12(16)11-6-5-7-15(8-11)13-14-9(2)10(3)18-13/h11H,4-8H2,1-3H3
InChIKeyMHQKMBNGBNYWPR-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.54
Rot. Bonds3

About ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate

ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate (PubChem CID 65168577) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
PubChem CID65168577
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nameethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc(C)c(C)s2)C1
InChIInChI=1S/C13H20N2O2S/c1-4-17-12(16)11-6-5-7-15(8-11)13-14-9(2)10(3)18-13/h11H,4-8H2,1-3H3
InChIKeyMHQKMBNGBNYWPR-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
ethyl 1-(4-chloro-5-formyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 53273642
methyl 4-amino-2-(3-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 110277637
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 67454156
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-amine
CID 65168620
ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 45236696
ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 91965516
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl 1-[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90609936

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate (CID 65168577) is ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2nc(C)c(C)s2)C1.
What is the InChIKey of ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate?
The InChIKey is MHQKMBNGBNYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-17-12(16)11-6-5-7-15(8-11)13-14-9(2)10(3)18-13/h11H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate?
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 65168577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).