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

C13H15N3O3S — CID 4145587

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
SMILESCCc1nnc(NC(=O)c2cccc(OC)c2OC)s1
InChIInChI=1S/C13H15N3O3S/c1-4-10-15-16-13(20-10)14-12(17)8-6-5-7-9(18-2)11(8)19-3/h5-7H,4H2,1-3H3,(H,14,16,17)
InChIKeyYZZCFUWQVIPMOP-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.37
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide (PubChem CID 4145587) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
PubChem CID4145587
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
SMILESCCc1nnc(NC(=O)c2cccc(OC)c2OC)s1
InChIInChI=1S/C13H15N3O3S/c1-4-10-15-16-13(20-10)14-12(17)8-6-5-7-9(18-2)11(8)19-3/h5-7H,4H2,1-3H3,(H,14,16,17)
InChIKeyYZZCFUWQVIPMOP-UHFFFAOYSA-N
XLogP2.37
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-(2,3-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 8017432
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dimethoxybenzamide
CID 16813829
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
2-methoxy-N-[5-[2-[2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3112374
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
CID 17311565
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907852
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide (CID 4145587) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide is CCc1nnc(NC(=O)c2cccc(OC)c2OC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide?
The InChIKey is YZZCFUWQVIPMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-4-10-15-16-13(20-10)14-12(17)8-6-5-7-9(18-2)11(8)19-3/h5-7H,4H2,1-3H3,(H,14,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide has a molecular weight of 293.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 4145587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).