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

C20H22N4O3S — CID 3212800

IUPACN-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOCCN(C(=O)CCc1ccccc1OC)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C20H22N4O3S/c1-26-13-12-24(18(25)10-9-15-6-3-4-8-17(15)27-2)20-23-22-19(28-20)16-7-5-11-21-14-16/h3-8,11,14H,9-10,12-13H2,1-2H3
InChIKeyCOGPVWKOSUTOHB-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.22
Rot. Bonds9

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

N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 3212800) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID3212800
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOCCN(C(=O)CCc1ccccc1OC)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C20H22N4O3S/c1-26-13-12-24(18(25)10-9-15-6-3-4-8-17(15)27-2)20-23-22-19(28-20)16-7-5-11-21-14-16/h3-8,11,14H,9-10,12-13H2,1-2H3
InChIKeyCOGPVWKOSUTOHB-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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Related Compounds

N-(5-Pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929361
N-(2-Methoxy-ethyl)-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 644535
3-Methoxy-N-(2-methoxy-ethyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650936
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
N-Ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 655065
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
N-Ethyl-2-(2-methoxy-phenyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1451796
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 3212762
N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3212809
N-Allyl-2-phenoxy-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1076248
2-(3-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 60097478
2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982615

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 3212800) is N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide is COCCN(C(=O)CCc1ccccc1OC)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is COGPVWKOSUTOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-26-13-12-24(18(25)10-9-15-6-3-4-8-17(15)27-2)20-23-22-19(28-20)16-7-5-11-21-14-16/h3-8,11,14H,9-10,12-13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-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-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 3212800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).