ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate

C14H23N3O2S — CID 80568297

IUPACethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)C2CCN(CC)CC2)n1
InChIInChI=1S/C14H23N3O2S/c1-4-17-8-6-11(7-9-17)16(3)14-15-12(10-20-14)13(18)19-5-2/h10-11H,4-9H2,1-3H3
InChIKeyXEWFXUCPRADSKI-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.24
Rot. Bonds5

About ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate (PubChem CID 80568297) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate
PubChem CID80568297
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)C2CCN(CC)CC2)n1
InChIInChI=1S/C14H23N3O2S/c1-4-17-8-6-11(7-9-17)16(3)14-15-12(10-20-14)13(18)19-5-2/h10-11H,4-9H2,1-3H3
InChIKeyXEWFXUCPRADSKI-UHFFFAOYSA-N
XLogP2.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate (CID 80568297) is ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(C)C2CCN(CC)CC2)n1.
What is the InChIKey of ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is XEWFXUCPRADSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-17-8-6-11(7-9-17)16(3)14-15-12(10-20-14)13(18)19-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).