[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate

C13H11FN2O3S — CID 4530205

IUPAC[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate
SMILESCc1cnc(NC(=O)COC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C13H11FN2O3S/c1-8-6-15-13(20-8)16-11(17)7-19-12(18)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyUMVVLLOVOBIBHW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.39
Rot. Bonds4

About [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate

[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate (PubChem CID 4530205) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate
PubChem CID4530205
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate
SMILESCc1cnc(NC(=O)COC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C13H11FN2O3S/c1-8-6-15-13(20-8)16-11(17)7-19-12(18)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyUMVVLLOVOBIBHW-UHFFFAOYSA-N
XLogP2.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
CID 3558595
[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 126229726
[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23996192
(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 100816089
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7789394
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
N-(5-methyl-1,3-thiazol-2-yl)-2-naphthalen-1-yloxyacetamide
CID 2673025
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46491720
[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 23883710
[2-(4-fluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504589
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17483229
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate (CID 4530205) is [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate is Cc1cnc(NC(=O)COC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is UMVVLLOVOBIBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-8-6-15-13(20-8)16-11(17)7-19-12(18)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate?
[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 294.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 4530205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).