4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide

C24H19F3N4OS — CID 11294310

IUPAC4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C24H19F3N4OS/c1-14-4-6-18(12-19(14)24(25,26)27)29-22(32)17-5-3-15(2)20(11-17)30-23-31-21(13-33-23)16-7-9-28-10-8-16/h3-13H,1-2H3,(H,29,32)(H,30,31)
InChIKeyCWSGZYCOGLBQAJ-UHFFFAOYSA-N
MW468.50 g/mol
LogP6.84
Rot. Bonds5

About 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide

4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 11294310) has the molecular formula C24H19F3N4OS and a molecular weight of 468.50 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID11294310
Molecular FormulaC24H19F3N4OS
Molecular Weight468.50 g/mol
Exact Mass468.12
IUPAC Name4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C24H19F3N4OS/c1-14-4-6-18(12-19(14)24(25,26)27)29-22(32)17-5-3-15(2)20(11-17)30-23-31-21(13-33-23)16-7-9-28-10-8-16/h3-13H,1-2H3,(H,29,32)(H,30,31)
InChIKeyCWSGZYCOGLBQAJ-UHFFFAOYSA-N
XLogP6.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_M(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide (CID 11294310) is 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide is Cc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is CWSGZYCOGLBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4OS/c1-14-4-6-18(12-19(14)24(25,26)27)29-22(32)17-5-3-15(2)20(11-17)30-23-31-21(13-33-23)16-7-9-28-10-8-16/h3-13H,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 468.50 g/mol, XLogP of 6.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 11294310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).