2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide

C13H16N4O3S — CID 126770222

IUPAC2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1OCc1nsc(N(C)C)n1
InChIInChI=1S/C13H16N4O3S/c1-17(2)13-15-10(16-21-13)7-20-11-8(12(14)18)5-4-6-9(11)19-3/h4-6H,7H2,1-3H3,(H2,14,18)
InChIKeyZDWIYBGTZHKZHU-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.29
Rot. Bonds6

About 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide

2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide (PubChem CID 126770222) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide
PubChem CID126770222
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1OCc1nsc(N(C)C)n1
InChIInChI=1S/C13H16N4O3S/c1-17(2)13-15-10(16-21-13)7-20-11-8(12(14)18)5-4-6-9(11)19-3/h4-6H,7H2,1-3H3,(H2,14,18)
InChIKeyZDWIYBGTZHKZHU-UHFFFAOYSA-N
XLogP1.29
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide?
The IUPAC name of 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide (CID 126770222) is 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide.
What is the SMILES notation for 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide?
The canonical SMILES for 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide is COc1cccc(C(N)=O)c1OCc1nsc(N(C)C)n1.
What is the InChIKey of 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide?
The InChIKey is ZDWIYBGTZHKZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17(2)13-15-10(16-21-13)7-20-11-8(12(14)18)5-4-6-9(11)19-3/h4-6H,7H2,1-3H3,(H2,14,18).
What are the key properties of 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide?
2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide has a molecular weight of 308.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxy]-3-methoxybenzamide is sourced from PubChem (CID 126770222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).