1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide

C19H15F6N5OS — CID 177051612

About 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide

1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide (PubChem CID 177051612) has the molecular formula C19H15F6N5OS and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide
• PubChem CID: 177051612
• Molecular Formula: C19H15F6N5OS
• Molecular Weight: 475.42 g/mol
• Exact Mass: 475.09
• IUPAC Name: 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide
• SMILES: Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCc2nc(-c3ccnc(C(F)(F)F)c3)sc21
• InChI: InChI=1S/C19H15F6N5OS/c1-30-12(8-14(29-30)19(23,24)25)16(31)27-10-3-2-4-11-15(10)32-17(28-11)9-5-6-26-13(7-9)18(20,21)22/h5-8,10H,2-4H2,1H3,(H,27,31)/t10-/m0/s1
• InChIKey: IJWGUKJWLAYVQB-JTQLQIEISA-N
• XLogP: 4.78
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.42
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide?

The IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide (CID 177051612) is 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCc2nc(-c3ccnc(C(F)(F)F)c3)sc21.

What is the InChIKey of 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide?

The InChIKey is IJWGUKJWLAYVQB-JTQLQIEISA-N. The full InChI is InChI=1S/C19H15F6N5OS/c1-30-12(8-14(29-30)19(23,24)25)16(31)27-10-3-2-4-11-15(10)32-17(28-11)9-5-6-26-13(7-9)18(20,21)22/h5-8,10H,2-4H2,1H3,(H,27,31)/t10-/m0/s1.

What are the key properties of 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide?

1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177051612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).