ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate

C11H15N3O3S — CID 114031288

IUPACethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)c1cncs1
InChIInChI=1S/C11H15N3O3S/c1-2-17-11(16)8-5-12-3-4-14(8)10(15)9-6-13-7-18-9/h6-8,12H,2-5H2,1H3
InChIKeyNBMIWLCLGNGCCT-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.12
Rot. Bonds3

About ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate

ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate (PubChem CID 114031288) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate
PubChem CID114031288
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Nameethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)c1cncs1
InChIInChI=1S/C11H15N3O3S/c1-2-17-11(16)8-5-12-3-4-14(8)10(15)9-6-13-7-18-9/h6-8,12H,2-5H2,1H3
InChIKeyNBMIWLCLGNGCCT-UHFFFAOYSA-N
XLogP0.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate
CID 103807377
ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate
CID 113432137
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828
ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate
CID 116650861
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
CID 115737538
ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate
CID 79162464
ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
CID 107180851
ethyl 1-(5-nitro-1,3-thiazol-2-yl)piperazine-2-carboxylate
CID 102771380
ethyl 1-hexa-2,4-dienoylpiperazine-2-carboxylate
CID 77074329
ethyl 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)piperazine-2-carboxylate
CID 143526862
piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 118766603
ethyl 1-[(4,6-dichloro-3-pyridinyl)methyl]piperazine-2-carboxylate
CID 116519819

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate (CID 114031288) is ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C(=O)c1cncs1.
What is the InChIKey of ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate?
The InChIKey is NBMIWLCLGNGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-17-11(16)8-5-12-3-4-14(8)10(15)9-6-13-7-18-9/h6-8,12H,2-5H2,1H3.
What are the key properties of ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate?
ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 114031288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).