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

C16H11F3N4O3S — CID 122555372

IUPAC2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccn2)ns1
InChIInChI=1S/C16H11F3N4O3S/c1-25-12-8-9(26-16(17,18)19)5-6-10(12)14(24)22-15-21-13(23-27-15)11-4-2-3-7-20-11/h2-8H,1H3,(H,21,22,23,24)
InChIKeyIAQULHUMUSBREO-UHFFFAOYSA-N
MW396.35 g/mol
LogP3.76
Rot. Bonds5

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

2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 122555372) has the molecular formula C16H11F3N4O3S and a molecular weight of 396.35 g/mol. Its IUPAC name is 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID122555372
Molecular FormulaC16H11F3N4O3S
Molecular Weight396.35 g/mol
Exact Mass396.05
IUPAC Name2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccn2)ns1
InChIInChI=1S/C16H11F3N4O3S/c1-25-12-8-9(26-16(17,18)19)5-6-10(12)14(24)22-15-21-13(23-27-15)11-4-2-3-7-20-11/h2-8H,1H3,(H,21,22,23,24)
InChIKeyIAQULHUMUSBREO-UHFFFAOYSA-N
XLogP3.76
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide
CID 122691018
N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide
CID 122555409
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
4-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-pyridin-2-ylbenzamide
CID 75389227
N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide
CID 122555332
2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
CID 99718268
2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 122150828
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
CID 122555393

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 122555372) is 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide is COc1cc(OC(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccn2)ns1.
What is the InChIKey of 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is IAQULHUMUSBREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3S/c1-25-12-8-9(26-16(17,18)19)5-6-10(12)14(24)22-15-21-13(23-27-15)11-4-2-3-7-20-11/h2-8H,1H3,(H,21,22,23,24).
What are the key properties of 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 396.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122555372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).