5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid

C11H10N4O4S — CID 114913116

IUPAC5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid
SMILESCOc1ccc(NC(=O)Nc2cnns2)c(C(=O)O)c1
InChIInChI=1S/C11H10N4O4S/c1-19-6-2-3-8(7(4-6)10(16)17)13-11(18)14-9-5-12-15-20-9/h2-5H,1H3,(H,16,17)(H2,13,14,18)
InChIKeyQXDAEGHYFDWMSN-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.89
Rot. Bonds4

About 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid

5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid (PubChem CID 114913116) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid
PubChem CID114913116
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid
SMILESCOc1ccc(NC(=O)Nc2cnns2)c(C(=O)O)c1
InChIInChI=1S/C11H10N4O4S/c1-19-6-2-3-8(7(4-6)10(16)17)13-11(18)14-9-5-12-15-20-9/h2-5H,1H3,(H,16,17)(H2,13,14,18)
InChIKeyQXDAEGHYFDWMSN-UHFFFAOYSA-N
XLogP1.89
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid?
The IUPAC name of 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid (CID 114913116) is 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid is COc1ccc(NC(=O)Nc2cnns2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid?
The InChIKey is QXDAEGHYFDWMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c1-19-6-2-3-8(7(4-6)10(16)17)13-11(18)14-9-5-12-15-20-9/h2-5H,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid?
5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid has a molecular weight of 294.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 114913116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).