ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate

C12H18N2O2S — CID 155424080

IUPACethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCCN(C)C2)s1
InChIInChI=1S/C12H18N2O2S/c1-3-16-12(15)10-7-13-11(17-10)9-5-4-6-14(2)8-9/h7,9H,3-6,8H2,1-2H3
InChIKeyCSNHURDQOAIGND-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.13
Rot. Bonds3

About ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate

ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate (PubChem CID 155424080) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate
PubChem CID155424080
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCCN(C)C2)s1
InChIInChI=1S/C12H18N2O2S/c1-3-16-12(15)10-7-13-11(17-10)9-5-4-6-14(2)8-9/h7,9H,3-6,8H2,1-2H3
InChIKeyCSNHURDQOAIGND-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate (CID 155424080) is ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(C2CCCN(C)C2)s1.
What is the InChIKey of ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is CSNHURDQOAIGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-16-12(15)10-7-13-11(17-10)9-5-4-6-14(2)8-9/h7,9H,3-6,8H2,1-2H3.
What are the key properties of ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 155424080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).