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

C12H11Cl2N3O2S — CID 708695

IUPAC3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SMILESCCc1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1
InChIInChI=1S/C12H11Cl2N3O2S/c1-3-9-16-17-12(20-9)15-11(18)6-4-7(13)10(19-2)8(14)5-6/h4-5H,3H2,1-2H3,(H,15,17,18)
InChIKeyXKBNLNVOSJFGRQ-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.67
Rot. Bonds4

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

3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide (PubChem CID 708695) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
PubChem CID708695
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SMILESCCc1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1
InChIInChI=1S/C12H11Cl2N3O2S/c1-3-9-16-17-12(20-9)15-11(18)6-4-7(13)10(19-2)8(14)5-6/h4-5H,3H2,1-2H3,(H,15,17,18)
InChIKeyXKBNLNVOSJFGRQ-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide (CID 708695) is 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide is CCc1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1.
What is the InChIKey of 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The InChIKey is XKBNLNVOSJFGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-3-9-16-17-12(20-9)15-11(18)6-4-7(13)10(19-2)8(14)5-6/h4-5H,3H2,1-2H3,(H,15,17,18).
What are the key properties of 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide has a molecular weight of 332.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 708695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).