ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate

C14H23N3O2S — CID 116527190

IUPACethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)N2CCNCC2)sc1C
InChIInChI=1S/C14H23N3O2S/c1-5-19-12(18)11-10(2)20-13(16-11)14(3,4)17-8-6-15-7-9-17/h15H,5-9H2,1-4H3
InChIKeyBJXHXBKXHHRYFD-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.77
Rot. Bonds4

About ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 116527190) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID116527190
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)N2CCNCC2)sc1C
InChIInChI=1S/C14H23N3O2S/c1-5-19-12(18)11-10(2)20-13(16-11)14(3,4)17-8-6-15-7-9-17/h15H,5-9H2,1-4H3
InChIKeyBJXHXBKXHHRYFD-UHFFFAOYSA-N
XLogP1.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate (CID 116527190) is ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(C)(C)N2CCNCC2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is BJXHXBKXHHRYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-19-12(18)11-10(2)20-13(16-11)14(3,4)17-8-6-15-7-9-17/h15H,5-9H2,1-4H3.
What are the key properties of ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116527190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).