ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C19H24N4O3S — CID 6467578

IUPACethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O3S/c1-2-26-18(25)12-15-14-27-19(20-15)21-17(24)13-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,14H,2,8-13H2,1H3,(H,20,21,24)
InChIKeyIXKPKKBLUBYAIR-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.01
Rot. Bonds7

About ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 6467578) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID6467578
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Nameethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O3S/c1-2-26-18(25)12-15-14-27-19(20-15)21-17(24)13-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,14H,2,8-13H2,1H3,(H,20,21,24)
InChIKeyIXKPKKBLUBYAIR-UHFFFAOYSA-N
XLogP2.01
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate 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

4-Thiazoleacetic acid, 2-[[[(4-fluorophenyl)amino]carbonyl]amino]-, ethyl ester
CID 2813998
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
Methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
CID 2741217
Methyl 2-[2-(phenylamino)-1,3-thiazol-4-yl]acetate
CID 1528685
Ethyl 2-{2-[(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)amino]-1,3-thiazol-4-yl}acetate
CID 1528719
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 6465336
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 17428539
Ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8899507
Ethyl 1-{2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}piperidine-3-carboxylate
CID 6471461
Ethyl 4-methyl-2-{[(4-phenyl-1-piperazinyl)acetyl]amino}-1,3-thiazole-5-carboxylate
CID 6468878

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 6467578) is ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IXKPKKBLUBYAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-2-26-18(25)12-15-14-27-19(20-15)21-17(24)13-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,14H,2,8-13H2,1H3,(H,20,21,24).
What are the key properties of ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 388.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 6467578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).