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

C20H22N4O3S — CID 3212762

IUPACN-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOCCN(C(=O)CCc1ccc(OC)cc1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C20H22N4O3S/c1-26-14-13-24(18(25)8-5-15-3-6-17(27-2)7-4-15)20-23-22-19(28-20)16-9-11-21-12-10-16/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3
InChIKeyLIECHSGIIFZVNR-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.22
Rot. Bonds9

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

N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 3212762) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID3212762
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOCCN(C(=O)CCc1ccc(OC)cc1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C20H22N4O3S/c1-26-14-13-24(18(25)8-5-15-3-6-17(27-2)7-4-15)20-23-22-19(28-20)16-9-11-21-12-10-16/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3
InChIKeyLIECHSGIIFZVNR-UHFFFAOYSA-N
XLogP3.22
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 3212762) is N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is COCCN(C(=O)CCc1ccc(OC)cc1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is LIECHSGIIFZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-26-14-13-24(18(25)8-5-15-3-6-17(27-2)7-4-15)20-23-22-19(28-20)16-9-11-21-12-10-16/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 398.49 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 3212762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).