ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate

C12H19N3O3S — CID 103384722

IUPACethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N1CCC(C)C(O)C1
InChIInChI=1S/C12H19N3O3S/c1-3-18-12(17)9-10(13)14-19-11(9)15-5-4-7(2)8(16)6-15/h7-8,16H,3-6H2,1-2H3,(H2,13,14)
InChIKeyCKGOSUYMGSJMMF-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.11
Rot. Bonds3

About ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate (PubChem CID 103384722) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
PubChem CID103384722
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Nameethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N1CCC(C)C(O)C1
InChIInChI=1S/C12H19N3O3S/c1-3-18-12(17)9-10(13)14-19-11(9)15-5-4-7(2)8(16)6-15/h7-8,16H,3-6H2,1-2H3,(H2,13,14)
InChIKeyCKGOSUYMGSJMMF-UHFFFAOYSA-N
XLogP1.11
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate (CID 103384722) is ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N1CCC(C)C(O)C1.
What is the InChIKey of ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The InChIKey is CKGOSUYMGSJMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-18-12(17)9-10(13)14-19-11(9)15-5-4-7(2)8(16)6-15/h7-8,16H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate has a molecular weight of 285.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103384722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).