ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate

C13H13FN2O4S2 — CID 3160784

IUPACethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C13H13FN2O4S2/c1-3-20-12(17)11-8(2)15-13(21-11)16-22(18,19)10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyCWWZKRDYODBEOP-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.57
Rot. Bonds5

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

ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 3160784) has the molecular formula C13H13FN2O4S2 and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID3160784
Molecular FormulaC13H13FN2O4S2
Molecular Weight344.39 g/mol
Exact Mass344.03
IUPAC Nameethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C13H13FN2O4S2/c1-3-20-12(17)11-8(2)15-13(21-11)16-22(18,19)10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyCWWZKRDYODBEOP-UHFFFAOYSA-N
XLogP2.57
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 3160784) is ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is CWWZKRDYODBEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S2/c1-3-20-12(17)11-8(2)15-13(21-11)16-22(18,19)10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3160784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).