N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid)

C26H33F6N5O5S — CID 155864245

About N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155864245) has the molecular formula C26H33F6N5O5S and a molecular weight of 641.64 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155864245
• Molecular Formula: C26H33F6N5O5S
• Molecular Weight: 641.64 g/mol
• Exact Mass: 641.21
• IUPAC Name: N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(C)c1nc2c(s1)CN(C(=O)N(C)C)CC21CCN(Cc2cccnc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H31N5OS.2C2HF3O2/c1-16(2)20-24-19-18(29-20)14-27(21(28)25(3)4)15-22(19)7-10-26(11-8-22)13-17-6-5-9-23-12-17;2*3-2(4,5)1(6)7/h5-6,9,12,16H,7-8,10-11,13-15H2,1-4H3;2*(H,6,7)
• InChIKey: DTASWZVGUYGZQU-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 127.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.64
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155864245) is N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid) is CC(C)c1nc2c(s1)CN(C(=O)N(C)C)CC21CCN(Cc2cccnc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is DTASWZVGUYGZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5OS.2C2HF3O2/c1-16(2)20-24-19-18(29-20)14-27(21(28)25(3)4)15-22(19)7-10-26(11-8-22)13-17-6-5-9-23-12-17;2*3-2(4,5)1(6)7/h5-6,9,12,16H,7-8,10-11,13-15H2,1-4H3;2*(H,6,7).

What are the key properties of N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 641.64 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-propan-2-yl-1'-(pyridin-3-ylmethyl)spiro[4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-7,4'-piperidine]-5-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155864245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).