3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide

C25H24N4O3S — CID 59735778

IUPAC3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide
SMILESCc1ccccc1COc1cc(OCCc2scnc2C)cc(C(=O)Nc2cnccn2)c1
InChIInChI=1S/C25H24N4O3S/c1-17-5-3-4-6-19(17)15-32-22-12-20(25(30)29-24-14-26-8-9-27-24)11-21(13-22)31-10-7-23-18(2)28-16-33-23/h3-6,8-9,11-14,16H,7,10,15H2,1-2H3,(H,27,29,30)
InChIKeyOZNVPILDHJVHSL-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.00
Rot. Bonds9

About 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide

3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide (PubChem CID 59735778) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide
PubChem CID59735778
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide
SMILESCc1ccccc1COc1cc(OCCc2scnc2C)cc(C(=O)Nc2cnccn2)c1
InChIInChI=1S/C25H24N4O3S/c1-17-5-3-4-6-19(17)15-32-22-12-20(25(30)29-24-14-26-8-9-27-24)11-21(13-22)31-10-7-23-18(2)28-16-33-23/h3-6,8-9,11-14,16H,7,10,15H2,1-2H3,(H,27,29,30)
InChIKeyOZNVPILDHJVHSL-UHFFFAOYSA-N
XLogP5.00
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773
2-[[3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 59735803
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
CID 142213591
6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 21074217
3-(bromomethyl)-5-(3-methoxypropoxy)-N-pyrazin-2-ylbenzamide
CID 67306472
(E)-2-methylbut-2-enoic acid;N-[1-[3-methyl-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]prop-1-en-2-amine;4-methyl-5-pentyl-1,3-thiazole
CID 142213463
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62071333
3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-(3-methoxypropoxy)-N-pyrazin-2-ylbenzamide
CID 67307262
3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyridin-2-ylbenzamide
CID 59735848
3-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
CID 43616193
4-methyl-5-(2-quinolin-3-yloxyethyl)-1,3-thiazole
CID 102847058
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide (CID 59735778) is 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide is Cc1ccccc1COc1cc(OCCc2scnc2C)cc(C(=O)Nc2cnccn2)c1.
What is the InChIKey of 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide?
The InChIKey is OZNVPILDHJVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-5-3-4-6-19(17)15-32-22-12-20(25(30)29-24-14-26-8-9-27-24)11-21(13-22)31-10-7-23-18(2)28-16-33-23/h3-6,8-9,11-14,16H,7,10,15H2,1-2H3,(H,27,29,30).
What are the key properties of 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide?
3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide has a molecular weight of 460.56 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methoxy]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 59735778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).