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

C15H15FN2O3S — CID 3921576

IUPACethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H15FN2O3S/c1-3-21-14(20)13-9(2)17-15(22-13)18-12(19)8-10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyDBLACWJGEFYBAI-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.95
Rot. Bonds5

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

ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 3921576) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID3921576
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Nameethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H15FN2O3S/c1-3-21-14(20)13-9(2)17-15(22-13)18-12(19)8-10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyDBLACWJGEFYBAI-UHFFFAOYSA-N
XLogP2.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 3921576) is ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cc2ccc(F)cc2)nc1C.
What is the InChIKey of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is DBLACWJGEFYBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-3-21-14(20)13-9(2)17-15(22-13)18-12(19)8-10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3921576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).