N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide

C19H14F2N6O2S — CID 20941359

IUPACN-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3nnn(-c4cc(F)ccc4F)c3C)ns2)cc1
InChIInChI=1S/C19H14F2N6O2S/c1-10-16(24-26-27(10)15-9-12(20)5-8-14(15)21)17-22-19(30-25-17)23-18(28)11-3-6-13(29-2)7-4-11/h3-9H,1-2H3,(H,22,23,25,28)
InChIKeyCXUVHJZBHFFQQO-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.63
Rot. Bonds5

About N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide

N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide (PubChem CID 20941359) has the molecular formula C19H14F2N6O2S and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide
PubChem CID20941359
Molecular FormulaC19H14F2N6O2S
Molecular Weight428.42 g/mol
Exact Mass428.09
IUPAC NameN-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3nnn(-c4cc(F)ccc4F)c3C)ns2)cc1
InChIInChI=1S/C19H14F2N6O2S/c1-10-16(24-26-27(10)15-9-12(20)5-8-14(15)21)17-22-19(30-25-17)23-18(28)11-3-6-13(29-2)7-4-11/h3-9H,1-2H3,(H,22,23,25,28)
InChIKeyCXUVHJZBHFFQQO-UHFFFAOYSA-N
XLogP3.63
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941189
N-[3-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide
CID 20941339
N-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-3,5-dimethoxybenzamide
CID 20941292
4-chloro-N-[3-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 22424491
4-methoxy-N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]benzamide
CID 20941333
N-[3-[1-(3,5-dimethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-3,5-dimethoxybenzamide
CID 20941308
N-[3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941145
N-(4-chlorophenyl)-3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-amine
CID 50840475
4-chloro-N-[3-[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 22424487
4-bromo-N-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941260
N-[3-[1-(3,4-dimethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941234
N-[3-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941225

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide (CID 20941359) is N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3nnn(-c4cc(F)ccc4F)c3C)ns2)cc1.
What is the InChIKey of N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide?
The InChIKey is CXUVHJZBHFFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2S/c1-10-16(24-26-27(10)15-9-12(20)5-8-14(15)21)17-22-19(30-25-17)23-18(28)11-3-6-13(29-2)7-4-11/h3-9H,1-2H3,(H,22,23,25,28).
What are the key properties of N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide?
N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide has a molecular weight of 428.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,5-difluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 20941359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).