ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate

C16H19FN2O5S2 — CID 5180286

IUPACethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(CCOC)S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2O5S2/c1-3-24-16(20)14-11-25-15(18-14)10-19(8-9-23-2)26(21,22)13-6-4-12(17)5-7-13/h4-7,11H,3,8-10H2,1-2H3
InChIKeyXTWZKCLCHHCPIG-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.30
Rot. Bonds9

About ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 5180286) has the molecular formula C16H19FN2O5S2 and a molecular weight of 402.47 g/mol. Its IUPAC name is ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID5180286
Molecular FormulaC16H19FN2O5S2
Molecular Weight402.47 g/mol
Exact Mass402.07
IUPAC Nameethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(CCOC)S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2O5S2/c1-3-24-16(20)14-11-25-15(18-14)10-19(8-9-23-2)26(21,22)13-6-4-12(17)5-7-13/h4-7,11H,3,8-10H2,1-2H3
InChIKeyXTWZKCLCHHCPIG-UHFFFAOYSA-N
XLogP2.30
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-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-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 5180286) is ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CN(CCOC)S(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is XTWZKCLCHHCPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O5S2/c1-3-24-16(20)14-11-25-15(18-14)10-19(8-9-23-2)26(21,22)13-6-4-12(17)5-7-13/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 402.47 g/mol, XLogP of 2.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 5180286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).