ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate

C15H15FN2O5S2 — CID 100667926

IUPACethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NS(=O)(=O)Cc2ccccc2F)sc1C(C)=O
InChIInChI=1S/C15H15FN2O5S2/c1-3-23-14(20)12-13(9(2)19)24-15(17-12)18-25(21,22)8-10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyNAHPGCYDNXXSMY-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.60
Rot. Bonds7

About ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate (PubChem CID 100667926) has the molecular formula C15H15FN2O5S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate
PubChem CID100667926
Molecular FormulaC15H15FN2O5S2
Molecular Weight386.43 g/mol
Exact Mass386.04
IUPAC Nameethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NS(=O)(=O)Cc2ccccc2F)sc1C(C)=O
InChIInChI=1S/C15H15FN2O5S2/c1-3-23-14(20)12-13(9(2)19)24-15(17-12)18-25(21,22)8-10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyNAHPGCYDNXXSMY-UHFFFAOYSA-N
XLogP2.60
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-acetyl-2-[(1-benzylpyrazol-4-yl)sulfonylamino]-1,3-thiazole-4-carboxylate
CID 100667915
ethyl 3-chloro-4-[(2-fluorophenyl)methylsulfonylamino]benzoate
CID 28633567
ethyl 5-acetyl-2-(2,2-difluoroethylamino)-1,3-thiazole-4-carboxylate
CID 107378177
ethyl 5-acetyl-2-(3-sulfamoylpropylamino)-1,3-thiazole-4-carboxylate
CID 107377433
ethyl 5-acetyl-2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 107376342
ethyl 5-acetyl-2-(3-bromoanilino)-1,3-thiazole-4-carboxylate
CID 107377026
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 107377357
ethyl 5-acetyl-2-[(5-amino-5-oxopentyl)amino]-1,3-thiazole-4-carboxylate
CID 106241485
ethyl 2-(2,6-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526443
ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 107378211
ethyl 5-acetyl-2-[(4-amino-4-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 107378363

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate (CID 100667926) is ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NS(=O)(=O)Cc2ccccc2F)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is NAHPGCYDNXXSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S2/c1-3-23-14(20)12-13(9(2)19)24-15(17-12)18-25(21,22)8-10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-[(2-fluorophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 100667926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).