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

C11H16N2O2S — CID 115538300

IUPACmethyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc(C)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-6-4-3-5-9(13)10(14)15-2/h7,9H,3-6H2,1-2H3
InChIKeyWXXMIQFKVPWTDG-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.98
Rot. Bonds2

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

methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate (PubChem CID 115538300) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
PubChem CID115538300
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc(C)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-6-4-3-5-9(13)10(14)15-2/h7,9H,3-6H2,1-2H3
InChIKeyWXXMIQFKVPWTDG-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538282
ethyl 1-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
CID 79399934
1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
CID 79399962
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
CID 63844473
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
CID 15546272
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
CID 115973724
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate (CID 115538300) is methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nc(C)cs1.
What is the InChIKey of methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate?
The InChIKey is WXXMIQFKVPWTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-6-4-3-5-9(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-2-carboxylate?
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.98, 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-2-carboxylate is sourced from PubChem (CID 115538300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).