3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide

C18H18N4O2S — CID 55807465

IUPAC3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C18H18N4O2S/c1-2-24-15-9-4-3-7-13(15)10-11-16(23)20-18-22-21-17(25-18)14-8-5-6-12-19-14/h3-9,12H,2,10-11H2,1H3,(H,20,22,23)
InChIKeyIEMRPCZAWPRROQ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.57
Rot. Bonds7

About 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide

3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 55807465) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID55807465
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C18H18N4O2S/c1-2-24-15-9-4-3-7-13(15)10-11-16(23)20-18-22-21-17(25-18)14-8-5-6-12-19-14/h3-9,12H,2,10-11H2,1H3,(H,20,22,23)
InChIKeyIEMRPCZAWPRROQ-UHFFFAOYSA-N
XLogP3.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
2-(2-butan-2-ylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55810418
7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
CID 119855706
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55381245
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55810195
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2641026
N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
CID 30295210
2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55807297
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 55807465) is 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide is CCOc1ccccc1CCC(=O)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is IEMRPCZAWPRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-2-24-15-9-4-3-7-13(15)10-11-16(23)20-18-22-21-17(25-18)14-8-5-6-12-19-14/h3-9,12H,2,10-11H2,1H3,(H,20,22,23).
What are the key properties of 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 354.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 55807465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).