ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate

C13H19N3O3S — CID 166280889

IUPACethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCN(C(C)=O)C[C@H]2C)s1
InChIInChI=1S/C13H19N3O3S/c1-4-19-12(18)11-7-14-13(20-11)16-6-5-15(10(3)17)8-9(16)2/h7,9H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyZNDZXPVQGXJAOM-SECBINFHSA-N
MW297.38 g/mol
LogP1.38
Rot. Bonds3

About ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate

ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 166280889) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID166280889
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCN(C(C)=O)C[C@H]2C)s1
InChIInChI=1S/C13H19N3O3S/c1-4-19-12(18)11-7-14-13(20-11)16-6-5-15(10(3)17)8-9(16)2/h7,9H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyZNDZXPVQGXJAOM-SECBINFHSA-N
XLogP1.38
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate (CID 166280889) is ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N2CCN(C(C)=O)C[C@H]2C)s1.
What is the InChIKey of ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is ZNDZXPVQGXJAOM-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-19-12(18)11-7-14-13(20-11)16-6-5-15(10(3)17)8-9(16)2/h7,9H,4-6,8H2,1-3H3/t9-/m1/s1.
What are the key properties of ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate?
ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 166280889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).