methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate

C19H15FN4O4S — CID 42356131

IUPACmethyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cnsn2)cc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H15FN4O4S/c1-28-19(27)12-6-11(9-21-18(26)16-10-22-29-24-16)7-13(8-12)23-17(25)14-4-2-3-5-15(14)20/h2-8,10H,9H2,1H3,(H,21,26)(H,23,25)
InChIKeyIWIDRCWMFGVSKO-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.65
Rot. Bonds6

About methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate

methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate (PubChem CID 42356131) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate
PubChem CID42356131
Molecular FormulaC19H15FN4O4S
Molecular Weight414.42 g/mol
Exact Mass414.08
IUPAC Namemethyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cnsn2)cc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H15FN4O4S/c1-28-19(27)12-6-11(9-21-18(26)16-10-22-29-24-16)7-13(8-12)23-17(25)14-4-2-3-5-15(14)20/h2-8,10H,9H2,1H3,(H,21,26)(H,23,25)
InChIKeyIWIDRCWMFGVSKO-UHFFFAOYSA-N
XLogP2.65
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate with MolForge

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Related Compounds

methyl 3-[[(2,2-dimethyloxane-4-carbonyl)amino]methyl]-5-[(2-fluorobenzoyl)amino]benzoate
CID 126466268
methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 42366604
methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate
CID 26332211
methyl 3-[[[3-(3-fluorophenyl)benzoyl]amino]methyl]-5-(pyrazine-2-carbonylamino)benzoate
CID 42355828
methyl 3-[3-(3-fluorophenyl)prop-2-enoylamino]-5-[(pyridine-2-carbonylamino)methyl]benzoate
CID 74416619
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridine-2-carbonylamino)methyl]benzoate
CID 42367388
methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
CID 42406364
dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26586202
methyl 3-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]-5-(furan-2-carbonylamino)benzoate
CID 42370507
methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 26274916
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
methyl 3-[[(3-fluorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 25290649

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate?
The IUPAC name of methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate (CID 42356131) is methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate.
What is the SMILES notation for methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate?
The canonical SMILES for methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate is COC(=O)c1cc(CNC(=O)c2cnsn2)cc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate?
The InChIKey is IWIDRCWMFGVSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c1-28-19(27)12-6-11(9-21-18(26)16-10-22-29-24-16)7-13(8-12)23-17(25)14-4-2-3-5-15(14)20/h2-8,10H,9H2,1H3,(H,21,26)(H,23,25).
What are the key properties of methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate?
methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate has a molecular weight of 414.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluorobenzoyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate is sourced from PubChem (CID 42356131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).