[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C15H15FN2O3S — CID 8824438

IUPAC[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCCNC(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O3S/c1-2-7-17-13(19)8-21-15(20)12-9-22-14(18-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,19)
InChIKeyUOCADPGNUACFCB-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.63
Rot. Bonds6

About [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8824438) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8824438
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCCNC(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O3S/c1-2-7-17-13(19)8-21-15(20)12-9-22-14(18-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,19)
InChIKeyUOCADPGNUACFCB-UHFFFAOYSA-N
XLogP2.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837954
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824461
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 55866842
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824568
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838112
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837874
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824329
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838119
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122778
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824580
[2-(4-nitroanilino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824348

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 8824438) is [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is CCCNC(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is UOCADPGNUACFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-2-7-17-13(19)8-21-15(20)12-9-22-14(18-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,19).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8824438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).