2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide

C34H35F3N10O2S — CID 11629038

About 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide

2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 11629038) has the molecular formula C34H35F3N10O2S and a molecular weight of 704.78 g/mol. Its IUPAC name is 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 11629038
• Molecular Formula: C34H35F3N10O2S
• Molecular Weight: 704.78 g/mol
• Exact Mass: 704.26
• IUPAC Name: 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
• SMILES: CCN1CCN(c2cc(Nc3ncc(C(=O)Nc4cc(NC(=O)c5cc(-n6cnc(C)c6)cc(C(F)(F)F)c5)ccc4C)s3)nc(C)n2)CC1
• InChI: InChI=1S/C34H35F3N10O2S/c1-5-45-8-10-46(11-9-45)30-16-29(40-22(4)41-30)44-33-38-17-28(50-33)32(49)43-27-15-25(7-6-20(27)2)42-31(48)23-12-24(34(35,36)37)14-26(13-23)47-18-21(3)39-19-47/h6-7,12-19H,5,8-11H2,1-4H3,(H,42,48)(H,43,49)(H,38,40,41,44)
• InChIKey: ANSSLPARADMIAI-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 133.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	704.78
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide (CID 11629038) is 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide is CCN1CCN(c2cc(Nc3ncc(C(=O)Nc4cc(NC(=O)c5cc(-n6cnc(C)c6)cc(C(F)(F)F)c5)ccc4C)s3)nc(C)n2)CC1.

What is the InChIKey of 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide?

The InChIKey is ANSSLPARADMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N10O2S/c1-5-45-8-10-46(11-9-45)30-16-29(40-22(4)41-30)44-33-38-17-28(50-33)32(49)43-27-15-25(7-6-20(27)2)42-31(48)23-12-24(34(35,36)37)14-26(13-23)47-18-21(3)39-19-47/h6-7,12-19H,5,8-11H2,1-4H3,(H,42,48)(H,43,49)(H,38,40,41,44).

What are the key properties of 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide?

2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 704.78 g/mol, XLogP of 6.45, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11629038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).