3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C11H9Cl2N3O2S — CID 2206200

IUPAC3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2nnc(C)s2)cc1Cl
InChIInChI=1S/C11H9Cl2N3O2S/c1-5-15-16-11(19-5)14-10(17)6-3-7(12)9(18-2)8(13)4-6/h3-4H,1-2H3,(H,14,16,17)
InChIKeyAFCDBAZAUJPGAN-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.41
Rot. Bonds3

About 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2206200) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2206200
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2nnc(C)s2)cc1Cl
InChIInChI=1S/C11H9Cl2N3O2S/c1-5-15-16-11(19-5)14-10(17)6-3-7(12)9(18-2)8(13)4-6/h3-4H,1-2H3,(H,14,16,17)
InChIKeyAFCDBAZAUJPGAN-UHFFFAOYSA-N
XLogP3.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2206200) is 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is COc1c(Cl)cc(C(=O)Nc2nnc(C)s2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is AFCDBAZAUJPGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c1-5-15-16-11(19-5)14-10(17)6-3-7(12)9(18-2)8(13)4-6/h3-4H,1-2H3,(H,14,16,17).
What are the key properties of 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 318.19 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2206200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).