methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate

C11H8FN3O3S — CID 29139793

IUPACmethyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate
SMILESCOC(=O)c1nnsc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H8FN3O3S/c1-18-11(17)8-10(19-15-14-8)13-9(16)6-3-2-4-7(12)5-6/h2-5H,1H3,(H,13,16)
InChIKeyUDQZKTYVFAYUTQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.72
Rot. Bonds3

About methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate

methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate (PubChem CID 29139793) has the molecular formula C11H8FN3O3S and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate
PubChem CID29139793
Molecular FormulaC11H8FN3O3S
Molecular Weight281.27 g/mol
Exact Mass281.03
IUPAC Namemethyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate
SMILESCOC(=O)c1nnsc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H8FN3O3S/c1-18-11(17)8-10(19-15-14-8)13-9(16)6-3-2-4-7(12)5-6/h2-5H,1H3,(H,13,16)
InChIKeyUDQZKTYVFAYUTQ-UHFFFAOYSA-N
XLogP1.72
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[3-(trifluoromethyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 155256709
dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1221956
methyl 3-fluorobenzoate
CID 521184
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
methyl 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17064913
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide
CID 155256824
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 894653

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate?
The IUPAC name of methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate (CID 29139793) is methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate is COC(=O)c1nnsc1NC(=O)c1cccc(F)c1.
What is the InChIKey of methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate?
The InChIKey is UDQZKTYVFAYUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3S/c1-18-11(17)8-10(19-15-14-8)13-9(16)6-3-2-4-7(12)5-6/h2-5H,1H3,(H,13,16).
What are the key properties of methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate?
methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate has a molecular weight of 281.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate is sourced from PubChem (CID 29139793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).