5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide

C12H12ClN3O2S — CID 879873

IUPAC5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
SMILESCCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C12H12ClN3O2S/c1-3-10-15-16-12(19-10)14-11(17)8-6-7(13)4-5-9(8)18-2/h4-6H,3H2,1-2H3,(H,14,16,17)
InChIKeyJBZNYGAOWXFDPN-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.01
Rot. Bonds4

About 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide

5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide (PubChem CID 879873) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
PubChem CID879873
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
SMILESCCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C12H12ClN3O2S/c1-3-10-15-16-12(19-10)14-11(17)8-6-7(13)4-5-9(8)18-2/h4-6H,3H2,1-2H3,(H,14,16,17)
InChIKeyJBZNYGAOWXFDPN-UHFFFAOYSA-N
XLogP3.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide (CID 879873) is 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide is CCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1.
What is the InChIKey of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide?
The InChIKey is JBZNYGAOWXFDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-3-10-15-16-12(19-10)14-11(17)8-6-7(13)4-5-9(8)18-2/h4-6H,3H2,1-2H3,(H,14,16,17).
What are the key properties of 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide?
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide has a molecular weight of 297.77 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 879873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).