[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C15H14FN3O5S — CID 8814196

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C15H14FN3O5S/c1-9-8-25-15(23)19(9)6-13(21)24-7-12(20)18-14(22)17-11-5-3-2-4-10(11)16/h2-5,8H,6-7H2,1H3,(H2,17,18,20,22)
InChIKeyBEMZQBAZOIMGDV-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.25
Rot. Bonds5

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 8814196) has the molecular formula C15H14FN3O5S and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID8814196
Molecular FormulaC15H14FN3O5S
Molecular Weight367.36 g/mol
Exact Mass367.06
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C15H14FN3O5S/c1-9-8-25-15(23)19(9)6-13(21)24-7-12(20)18-14(22)17-11-5-3-2-4-10(11)16/h2-5,8H,6-7H2,1H3,(H2,17,18,20,22)
InChIKeyBEMZQBAZOIMGDV-UHFFFAOYSA-N
XLogP1.25
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9380070
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633263
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 30256076
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795318
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16560654
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
CID 7971704
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750216
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728181
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813626
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578708
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 30261130
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 8814196) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is BEMZQBAZOIMGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5S/c1-9-8-25-15(23)19(9)6-13(21)24-7-12(20)18-14(22)17-11-5-3-2-4-10(11)16/h2-5,8H,6-7H2,1H3,(H2,17,18,20,22).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 367.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 8814196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).