4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide

C19H23F3N8OS — CID 66749413

About 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide

4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 66749413) has the molecular formula C19H23F3N8OS and a molecular weight of 468.51 g/mol. Its IUPAC name is 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide
• PubChem CID: 66749413
• Molecular Formula: C19H23F3N8OS
• Molecular Weight: 468.51 g/mol
• Exact Mass: 468.17
• IUPAC Name: 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide
• SMILES: CCNC(=O)N1CCC(CNc2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)CC1
• InChI: InChI=1S/C19H23F3N8OS/c1-2-24-17(31)29-5-3-11(4-6-29)8-26-16-28-30-10-14(27-18(30)32-16)12-7-13(19(20,21)22)15(23)25-9-12/h7,9-11H,2-6,8H2,1H3,(H2,23,25)(H,24,31)(H,26,28)
• InChIKey: HHBIABQJOJIQPI-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 113.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.51
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide?

The IUPAC name of 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide (CID 66749413) is 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide?

The canonical SMILES for 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(CNc2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)CC1.

What is the InChIKey of 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide?

The InChIKey is HHBIABQJOJIQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N8OS/c1-2-24-17(31)29-5-3-11(4-6-29)8-26-16-28-30-10-14(27-18(30)32-16)12-7-13(19(20,21)22)15(23)25-9-12/h7,9-11H,2-6,8H2,1H3,(H2,23,25)(H,24,31)(H,26,28).

What are the key properties of 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide?

4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 66749413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).