1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid

C17H18F3N3O3S2 — CID 155829165

IUPAC1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cscn1)N1CCC2(CN(Cc3cccs3)C2)C1
InChIInChI=1S/C15H17N3OS2.C2HF3O2/c19-14(13-7-20-11-16-13)18-4-3-15(10-18)8-17(9-15)6-12-2-1-5-21-12;3-2(4,5)1(6)7/h1-2,5,7,11H,3-4,6,8-10H2;(H,6,7)
InChIKeyPFCZAOYFLLSIDI-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.19
Rot. Bonds3

About 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid

1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155829165) has the molecular formula C17H18F3N3O3S2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155829165
Molecular FormulaC17H18F3N3O3S2
Molecular Weight433.48 g/mol
Exact Mass433.07
IUPAC Name1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cscn1)N1CCC2(CN(Cc3cccs3)C2)C1
InChIInChI=1S/C15H17N3OS2.C2HF3O2/c19-14(13-7-20-11-16-13)18-4-3-15(10-18)8-17(9-15)6-12-2-1-5-21-12;3-2(4,5)1(6)7/h1-2,5,7,11H,3-4,6,8-10H2;(H,6,7)
InChIKeyPFCZAOYFLLSIDI-UHFFFAOYSA-N
XLogP3.19
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155829165) is 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cscn1)N1CCC2(CN(Cc3cccs3)C2)C1.
What is the InChIKey of 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is PFCZAOYFLLSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2.C2HF3O2/c19-14(13-7-20-11-16-13)18-4-3-15(10-18)8-17(9-15)6-12-2-1-5-21-12;3-2(4,5)1(6)7/h1-2,5,7,11H,3-4,6,8-10H2;(H,6,7).
What are the key properties of 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid?
1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 433.48 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155829165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).