N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

C19H24F3N3O3S2 — CID 154886933

IUPACN-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(CCCN1CCCCC1)C(=O)c1csc(-c2cccs2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3OS2.C2HF3O2/c1-19(8-6-11-20-9-3-2-4-10-20)17(21)14-13-23-16(18-14)15-7-5-12-22-15;3-2(4,5)1(6)7/h5,7,12-13H,2-4,6,8-11H2,1H3;(H,6,7)
InChIKeyQAVFNINEZYIQPM-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.45
Rot. Bonds6

About N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154886933) has the molecular formula C19H24F3N3O3S2 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154886933
Molecular FormulaC19H24F3N3O3S2
Molecular Weight463.55 g/mol
Exact Mass463.12
IUPAC NameN-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(CCCN1CCCCC1)C(=O)c1csc(-c2cccs2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3OS2.C2HF3O2/c1-19(8-6-11-20-9-3-2-4-10-20)17(21)14-13-23-16(18-14)15-7-5-12-22-15;3-2(4,5)1(6)7/h5,7,12-13H,2-4,6,8-11H2,1H3;(H,6,7)
InChIKeyQAVFNINEZYIQPM-UHFFFAOYSA-N
XLogP4.45
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 154886933) is N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is CN(CCCN1CCCCC1)C(=O)c1csc(-c2cccs2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QAVFNINEZYIQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2.C2HF3O2/c1-19(8-6-11-20-9-3-2-4-10-20)17(21)14-13-23-16(18-14)15-7-5-12-22-15;3-2(4,5)1(6)7/h5,7,12-13H,2-4,6,8-11H2,1H3;(H,6,7).
What are the key properties of N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 463.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-piperidin-1-ylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).