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

C12H19N3O2S — CID 28815586

IUPACethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1N1CCC(C)CC1
InChIInChI=1S/C12H19N3O2S/c1-3-17-11(16)9-10(14-12(13)18-9)15-6-4-8(2)5-7-15/h8H,3-7H2,1-2H3,(H2,13,14)
InChIKeyVAGJUPMDTPJRHS-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.14
Rot. Bonds3

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

ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 28815586) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID28815586
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1N1CCC(C)CC1
InChIInChI=1S/C12H19N3O2S/c1-3-17-11(16)9-10(14-12(13)18-9)15-6-4-8(2)5-7-15/h8H,3-7H2,1-2H3,(H2,13,14)
InChIKeyVAGJUPMDTPJRHS-UHFFFAOYSA-N
XLogP2.14
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (CID 28815586) is ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1N1CCC(C)CC1.
What is the InChIKey of ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is VAGJUPMDTPJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-17-11(16)9-10(14-12(13)18-9)15-6-4-8(2)5-7-15/h8H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 28815586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).