ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate

C19H24N4O4S2 — CID 42208709

IUPACethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)CC1
InChIInChI=1S/C19H24N4O4S2/c1-2-27-19(26)23-9-7-13(8-10-23)20-16(24)6-5-14-12-29-18(21-14)22-17(25)15-4-3-11-28-15/h3-4,11-13H,2,5-10H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyDCUFVMBYLIKKEU-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.13
Rot. Bonds7

About ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate (PubChem CID 42208709) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
PubChem CID42208709
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Nameethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)CC1
InChIInChI=1S/C19H24N4O4S2/c1-2-27-19(26)23-9-7-13(8-10-23)20-16(24)6-5-14-12-29-18(21-14)22-17(25)15-4-3-11-28-15/h3-4,11-13H,2,5-10H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyDCUFVMBYLIKKEU-UHFFFAOYSA-N
XLogP3.13
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate (CID 42208709) is ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)CC1.
What is the InChIKey of ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate?
The InChIKey is DCUFVMBYLIKKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-2-27-19(26)23-9-7-13(8-10-23)20-16(24)6-5-14-12-29-18(21-14)22-17(25)15-4-3-11-28-15/h3-4,11-13H,2,5-10H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 42208709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).