ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate

C13H21N3O2S — CID 80567922

IUPACethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-4-18-12(17)11-9-19-13(14-11)16(3)10-5-7-15(2)8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyVKISYZPFWBCOLQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80567922) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80567922
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-4-18-12(17)11-9-19-13(14-11)16(3)10-5-7-15(2)8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyVKISYZPFWBCOLQ-UHFFFAOYSA-N
XLogP1.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate (CID 80567922) is ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(C)C2CCN(C)CC2)n1.
What is the InChIKey of ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is VKISYZPFWBCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-18-12(17)11-9-19-13(14-11)16(3)10-5-7-15(2)8-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80567922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).