N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide

C23H18F6N6O2S — CID 59013885

About N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide (PubChem CID 59013885) has the molecular formula C23H18F6N6O2S and a molecular weight of 556.49 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide
• PubChem CID: 59013885
• Molecular Formula: C23H18F6N6O2S
• Molecular Weight: 556.49 g/mol
• Exact Mass: 556.11
• IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide
• SMILES: O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nsnc2Oc2ccc3[nH]ccc3c2)CC1
• InChI: InChI=1S/C23H18F6N6O2S/c24-22(25,26)14-10-15(23(27,28)29)12-16(11-14)31-21(36)35-7-5-34(6-8-35)19-20(33-38-32-19)37-17-1-2-18-13(9-17)3-4-30-18/h1-4,9-12,30H,5-8H2,(H,31,36)
• InChIKey: WXKFZWAYMHBISD-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.49
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide?

The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide (CID 59013885) is N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide?

The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nsnc2Oc2ccc3[nH]ccc3c2)CC1.

What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide?

The InChIKey is WXKFZWAYMHBISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N6O2S/c24-22(25,26)14-10-15(23(27,28)29)12-16(11-14)31-21(36)35-7-5-34(6-8-35)19-20(33-38-32-19)37-17-1-2-18-13(9-17)3-4-30-18/h1-4,9-12,30H,5-8H2,(H,31,36).

What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide?

N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide has a molecular weight of 556.49 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-(1H-indol-5-yloxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 59013885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).