3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide

C23H19FN4OS — CID 25167490

IUPAC3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-c3nccs3)c2)c(F)c1
InChIInChI=1S/C23H19FN4OS/c1-14-3-4-19(20(24)9-14)16-10-17(12-18(11-16)23-27-7-8-30-23)22(29)28-15(2)21-13-25-5-6-26-21/h3-13,15H,1-2H3,(H,28,29)
InChIKeyRIVYICZLILVSAY-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.21
Rot. Bonds5

About 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide

3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 25167490) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide
PubChem CID25167490
Molecular FormulaC23H19FN4OS
Molecular Weight418.50 g/mol
Exact Mass418.13
IUPAC Name3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-c3nccs3)c2)c(F)c1
InChIInChI=1S/C23H19FN4OS/c1-14-3-4-19(20(24)9-14)16-10-17(12-18(11-16)23-27-7-8-30-23)22(29)28-15(2)21-13-25-5-6-26-21/h3-13,15H,1-2H3,(H,28,29)
InChIKeyRIVYICZLILVSAY-UHFFFAOYSA-N
XLogP5.21
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide (CID 25167490) is 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-c3nccs3)c2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is RIVYICZLILVSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4OS/c1-14-3-4-19(20(24)9-14)16-10-17(12-18(11-16)23-27-7-8-30-23)22(29)28-15(2)21-13-25-5-6-26-21/h3-13,15H,1-2H3,(H,28,29).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide?
3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 25167490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).