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

C66H58F3N13O3S3 — CID 87980589

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

4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 87980589) has the molecular formula C66H58F3N13O3S3 and a molecular weight of 1234.47 g/mol. Its IUPAC name is 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 87980589
• Molecular Formula: C66H58F3N13O3S3
• Molecular Weight: 1234.47 g/mol
• Exact Mass: 1233.39
• IUPAC Name: 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(C(N)=O)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C27H27N5OS.C23H17F3N4OS.C16H14N4OS/c1-19-6-11-23(15-24(19)30-27-31-25(18-34-27)22-5-4-12-28-16-22)29-26(33)21-9-7-20(8-10-21)17-32-13-2-3-14-32;1-14-7-8-18(28-21(31)15-4-2-6-17(10-15)23(24,25)26)11-19(14)29-22-30-20(13-32-22)16-5-3-9-27-12-16;1-10-4-5-11(15(17)21)7-13(10)19-16-20-14(9-22-16)12-3-2-6-18-8-12/h4-12,15-16,18H,2-3,13-14,17H2,1H3,(H,29,33)(H,30,31);2-13H,1H3,(H,28,31)(H,29,30);2-9H,1H3,(H2,17,21)(H,19,20)
• InChIKey: CQSJDFWUYCCADV-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 217.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1234.47
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (CID 87980589) is 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(C(N)=O)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cs1.

What is the InChIKey of 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is CQSJDFWUYCCADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5OS.C23H17F3N4OS.C16H14N4OS/c1-19-6-11-23(15-24(19)30-27-31-25(18-34-27)22-5-4-12-28-16-22)29-26(33)21-9-7-20(8-10-21)17-32-13-2-3-14-32;1-14-7-8-18(28-21(31)15-4-2-6-17(10-15)23(24,25)26)11-19(14)29-22-30-20(13-32-22)16-5-3-9-27-12-16;1-10-4-5-11(15(17)21)7-13(10)19-16-20-14(9-22-16)12-3-2-6-18-8-12/h4-12,15-16,18H,2-3,13-14,17H2,1H3,(H,29,33)(H,30,31);2-13H,1H3,(H,28,31)(H,29,30);2-9H,1H3,(H2,17,21)(H,19,20).

What are the key properties of 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?

4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1234.47 g/mol, XLogP of 15.99, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 87980589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).