2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C20H16F3N3O2S — CID 23630124

IUPAC2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)s1
InChIInChI=1S/C20H16F3N3O2S/c1-11-6-7-15(9-16(11)19(28)26-17-10-24-12(2)29-17)25-18(27)13-4-3-5-14(8-13)20(21,22)23/h3-10H,1-2H3,(H,25,27)(H,26,28)
InChIKeyPZWWCIFJQKDZMU-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.28
Rot. Bonds4

About 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 23630124) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID23630124
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC Name2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)s1
InChIInChI=1S/C20H16F3N3O2S/c1-11-6-7-15(9-16(11)19(28)26-17-10-24-12(2)29-17)25-18(27)13-4-3-5-14(8-13)20(21,22)23/h3-10H,1-2H3,(H,25,27)(H,26,28)
InChIKeyPZWWCIFJQKDZMU-UHFFFAOYSA-N
XLogP5.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 23630124) is 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)s1.
What is the InChIKey of 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is PZWWCIFJQKDZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c1-11-6-7-15(9-16(11)19(28)26-17-10-24-12(2)29-17)25-18(27)13-4-3-5-14(8-13)20(21,22)23/h3-10H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 419.43 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 23630124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).