2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide

C11H10ClN3O3S — CID 47011252

IUPAC2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCc2nnsc2Cl)c1
InChIInChI=1S/C11H10ClN3O3S/c1-17-6-2-3-7(11(13)16)9(4-6)18-5-8-10(12)19-15-14-8/h2-4H,5H2,1H3,(H2,13,16)
InChIKeyYXIQVILUGNYMOK-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.88
Rot. Bonds5

About 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide

2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide (PubChem CID 47011252) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide
PubChem CID47011252
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCc2nnsc2Cl)c1
InChIInChI=1S/C11H10ClN3O3S/c1-17-6-2-3-7(11(13)16)9(4-6)18-5-8-10(12)19-15-14-8/h2-4H,5H2,1H3,(H2,13,16)
InChIKeyYXIQVILUGNYMOK-UHFFFAOYSA-N
XLogP1.88
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide (CID 47011252) is 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCc2nnsc2Cl)c1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide?
The InChIKey is YXIQVILUGNYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-17-6-2-3-7(11(13)16)9(4-6)18-5-8-10(12)19-15-14-8/h2-4H,5H2,1H3,(H2,13,16).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide?
2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide has a molecular weight of 299.74 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide is sourced from PubChem (CID 47011252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).