ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

C19H24N4O3S — CID 6468878

IUPACethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCN(c3ccccc3)CC2)nc1C
InChIInChI=1S/C19H24N4O3S/c1-3-26-18(25)17-14(2)20-19(27-17)21-16(24)13-22-9-11-23(12-10-22)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,20,21,24)
InChIKeyQUERFNZEBZXEQK-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.39
Rot. Bonds6

About ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 6468878) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID6468878
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Nameethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCN(c3ccccc3)CC2)nc1C
InChIInChI=1S/C19H24N4O3S/c1-3-26-18(25)17-14(2)20-19(27-17)21-16(24)13-22-9-11-23(12-10-22)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,20,21,24)
InChIKeyQUERFNZEBZXEQK-UHFFFAOYSA-N
XLogP2.39
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-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 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 6468878) is ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CN2CCN(c3ccccc3)CC2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is QUERFNZEBZXEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-3-26-18(25)17-14(2)20-19(27-17)21-16(24)13-22-9-11-23(12-10-22)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,20,21,24).
What are the key properties of ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 388.49 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 6468878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).