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

C17H16N4O2S — CID 653096

IUPACN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H16N4O2S/c1-23-11-10-21(16(22)13-6-3-2-4-7-13)17-20-19-15(24-17)14-8-5-9-18-12-14/h2-9,12H,10-11H2,1H3
InChIKeyWUCUWJIPNOGQJX-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.89
Rot. Bonds6

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

N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 653096) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID653096
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H16N4O2S/c1-23-11-10-21(16(22)13-6-3-2-4-7-13)17-20-19-15(24-17)14-8-5-9-18-12-14/h2-9,12H,10-11H2,1H3
InChIKeyWUCUWJIPNOGQJX-UHFFFAOYSA-N
XLogP2.89
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 653096) is N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is COCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WUCUWJIPNOGQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-11-10-21(16(22)13-6-3-2-4-7-13)17-20-19-15(24-17)14-8-5-9-18-12-14/h2-9,12H,10-11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 340.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 653096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).