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

C10H14N2O2S — CID 60658785

IUPACmethyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C10H14N2O2S/c1-14-9(13)8-2-5-12(6-3-8)10-11-4-7-15-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyCODYSNCOEQUAHD-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.53
Rot. Bonds2

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

methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate (PubChem CID 60658785) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate
PubChem CID60658785
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C10H14N2O2S/c1-14-9(13)8-2-5-12(6-3-8)10-11-4-7-15-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyCODYSNCOEQUAHD-UHFFFAOYSA-N
XLogP1.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate (CID 60658785) is methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nccs2)CC1.
What is the InChIKey of methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is CODYSNCOEQUAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-9(13)8-2-5-12(6-3-8)10-11-4-7-15-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate?
methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 60658785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).