ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate

C16H17FN2O5S2 — CID 7544319

IUPACethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2O5S2/c1-2-24-15(21)9-12-10-25-16(18-12)19-14(20)7-8-26(22,23)13-5-3-11(17)4-6-13/h3-6,10H,2,7-9H2,1H3,(H,18,19,20)
InChIKeySIXYUOGYZLJJQC-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.19
Rot. Bonds8

About ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 7544319) has the molecular formula C16H17FN2O5S2 and a molecular weight of 400.45 g/mol. Its IUPAC name is ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID7544319
Molecular FormulaC16H17FN2O5S2
Molecular Weight400.45 g/mol
Exact Mass400.06
IUPAC Nameethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2O5S2/c1-2-24-15(21)9-12-10-25-16(18-12)19-14(20)7-8-26(22,23)13-5-3-11(17)4-6-13/h3-6,10H,2,7-9H2,1H3,(H,18,19,20)
InChIKeySIXYUOGYZLJJQC-UHFFFAOYSA-N
XLogP2.19
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
ethyl 2-[2-(pent-4-enoylamino)-1,3-thiazol-4-yl]acetate
CID 51106392
ethyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19220870
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661263
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate (CID 7544319) is ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is SIXYUOGYZLJJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S2/c1-2-24-15(21)9-12-10-25-16(18-12)19-14(20)7-8-26(22,23)13-5-3-11(17)4-6-13/h3-6,10H,2,7-9H2,1H3,(H,18,19,20).
What are the key properties of ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 400.45 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7544319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).