ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate

C13H21N3O2S — CID 54199064

IUPACethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2CNCCN2)nc1C(C)C
InChIInChI=1S/C13H21N3O2S/c1-4-18-13(17)11-10(8(2)3)16-12(19-11)9-7-14-5-6-15-9/h8-9,14-15H,4-7H2,1-3H3
InChIKeyPNXXKLVFAYTXNP-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.68
Rot. Bonds4

About ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate

ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 54199064) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
PubChem CID54199064
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2CNCCN2)nc1C(C)C
InChIInChI=1S/C13H21N3O2S/c1-4-18-13(17)11-10(8(2)3)16-12(19-11)9-7-14-5-6-15-9/h8-9,14-15H,4-7H2,1-3H3
InChIKeyPNXXKLVFAYTXNP-UHFFFAOYSA-N
XLogP1.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate (CID 54199064) is ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C2CNCCN2)nc1C(C)C.
What is the InChIKey of ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is PNXXKLVFAYTXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-18-13(17)11-10(8(2)3)16-12(19-11)9-7-14-5-6-15-9/h8-9,14-15H,4-7H2,1-3H3.
What are the key properties of ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperazin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 54199064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).