ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate

C11H15N3O3S — CID 55143433

IUPACethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C11H15N3O3S/c1-2-17-11(16)14-5-3-13(4-6-14)10(15)9-7-18-8-12-9/h7-8H,2-6H2,1H3
InChIKeyXGTKNKQGXLUEBT-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.06
Rot. Bonds2

About ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 55143433) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID55143433
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Nameethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C11H15N3O3S/c1-2-17-11(16)14-5-3-13(4-6-14)10(15)9-7-18-8-12-9/h7-8H,2-6H2,1H3
InChIKeyXGTKNKQGXLUEBT-UHFFFAOYSA-N
XLogP1.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110646105
methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate
CID 63050127
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95828779
2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]pentanethioamide
CID 63343943
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
N,N-dimethyl-2-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 63049420
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
4-(1-ethoxyethenyl)-1,3-thiazole
CID 137473082

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate (CID 55143433) is ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is XGTKNKQGXLUEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-17-11(16)14-5-3-13(4-6-14)10(15)9-7-18-8-12-9/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 55143433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).