methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate

C11H16N2O2S — CID 62005306

IUPACmethyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-5-3-9(4-6-13)10(14)15-2/h7,9H,3-6H2,1-2H3
InChIKeyFIGWKBGEXKRPPL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.84
Rot. Bonds2

About methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate

methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate (PubChem CID 62005306) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate
PubChem CID62005306
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-5-3-9(4-6-13)10(14)15-2/h7,9H,3-6H2,1-2H3
InChIKeyFIGWKBGEXKRPPL-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[1-(4-Methyl-1,3-thiazol-2-YL)piperidin-4-YL]ethyl}pyrrolidin-2-one
CID 70754973
1-(4-Methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 165664770
Ethyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 80574897
Methyl 2-[2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 80576464
Methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 80576499
Methyl 3-[2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
CID 107040468
Methyl 3-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
CID 107040469
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110723530
methyl 1-[N-ethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 112064502
methyl 1-[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 112064509
methyl 1-[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 112064510
ethyl 1-[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 112168264

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate (CID 62005306) is methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nc(C)cs2)CC1.
What is the InChIKey of methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is FIGWKBGEXKRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-5-3-9(4-6-13)10(14)15-2/h7,9H,3-6H2,1-2H3.
What are the key properties of methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate?
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 62005306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).