ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate

C19H25N4O4S+ — CID 9431036

IUPACethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
SMILESCCOC(=O)N1CC[NH+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1
InChIInChI=1S/C19H24N4O4S/c1-3-27-19(25)23-10-8-22(9-11-23)12-17(24)21-18-20-16(13-28-18)14-4-6-15(26-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,20,21,24)/p+1
InChIKeySTVBQZKFSDIYRA-UHFFFAOYSA-O
MW405.50 g/mol
LogP1.11
Rot. Bonds6

About ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate

ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate (PubChem CID 9431036) has the molecular formula C19H25N4O4S+ and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
PubChem CID9431036
Molecular FormulaC19H25N4O4S+
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC Nameethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
SMILESCCOC(=O)N1CC[NH+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1
InChIInChI=1S/C19H24N4O4S/c1-3-27-19(25)23-10-8-22(9-11-23)12-17(24)21-18-20-16(13-28-18)14-4-6-15(26-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,20,21,24)/p+1
InChIKeySTVBQZKFSDIYRA-UHFFFAOYSA-O
XLogP1.11
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-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

ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17121909
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7339731
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7605698
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 959115
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119711335
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate (CID 9431036) is ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate is CCOC(=O)N1CC[NH+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1.
What is the InChIKey of ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate?
The InChIKey is STVBQZKFSDIYRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4O4S/c1-3-27-19(25)23-10-8-22(9-11-23)12-17(24)21-18-20-16(13-28-18)14-4-6-15(26-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,20,21,24)/p+1.
What are the key properties of ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate?
ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate is sourced from PubChem (CID 9431036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).