N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide

C19H19N3O4S — CID 7096036

IUPACN-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1
InChIInChI=1S/C19H19N3O4S/c1-4-26-15-8-6-5-7-13(15)17(23)20-19-22-21-18(27-19)14-10-9-12(24-2)11-16(14)25-3/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyWACSLUHIIKSKLC-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.87
Rot. Bonds7

About N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide

N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide (PubChem CID 7096036) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
PubChem CID7096036
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1
InChIInChI=1S/C19H19N3O4S/c1-4-26-15-8-6-5-7-13(15)17(23)20-19-22-21-18(27-19)14-10-9-12(24-2)11-16(14)25-3/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyWACSLUHIIKSKLC-UHFFFAOYSA-N
XLogP3.87
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-iodobenzamide
CID 3645848
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 2345637
N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 42448282
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 1078967
(2R)-N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylbutanamide
CID 7121205
N-(2-amino-5-methoxyphenyl)-2-ethoxybenzamide
CID 63257836
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide?
The IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide (CID 7096036) is N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1.
What is the InChIKey of N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide?
The InChIKey is WACSLUHIIKSKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-4-26-15-8-6-5-7-13(15)17(23)20-19-22-21-18(27-19)14-10-9-12(24-2)11-16(14)25-3/h5-11H,4H2,1-3H3,(H,20,22,23).
What are the key properties of N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide?
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide has a molecular weight of 385.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide is sourced from PubChem (CID 7096036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).