3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide

C23H24F3N3O2S — CID 157037356

About 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide

3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide (PubChem CID 157037356) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide.

Molecular Properties

• Compound Name: 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide
• PubChem CID: 157037356
• Molecular Formula: C23H24F3N3O2S
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.15
• IUPAC Name: 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide
• SMILES: CC(C)CCO.Cc1nc2c(s1)c1cc(C(N)=O)ccc1n2-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C18H12F3N3OS.C5H12O/c1-9-23-17-15(26-9)13-8-10(16(22)25)2-7-14(13)24(17)12-5-3-11(4-6-12)18(19,20)21;1-5(2)3-4-6/h2-8H,1H3,(H2,22,25);5-6H,3-4H2,1-2H3
• InChIKey: NMBVXUFZIYVGEG-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 81.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide?

The IUPAC name of 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide (CID 157037356) is 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide.

What is the SMILES notation for 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide?

The canonical SMILES for 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide is CC(C)CCO.Cc1nc2c(s1)c1cc(C(N)=O)ccc1n2-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide?

The InChIKey is NMBVXUFZIYVGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3OS.C5H12O/c1-9-23-17-15(26-9)13-8-10(16(22)25)2-7-14(13)24(17)12-5-3-11(4-6-12)18(19,20)21;1-5(2)3-4-6/h2-8H,1H3,(H2,22,25);5-6H,3-4H2,1-2H3.

What are the key properties of 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide?

3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide is sourced from PubChem (CID 157037356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).