1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid

C20H25F3N4O4S — CID 155836806

IUPAC1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1C(=O)NCCC1CCOC12CN(Cc1cccs1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O2S.C2HF3O2/c1-21-8-7-19-16(21)17(23)20-6-4-14-5-9-24-18(14)12-22(13-18)11-15-3-2-10-25-15;3-2(4,5)1(6)7/h2-3,7-8,10,14H,4-6,9,11-13H2,1H3,(H,20,23);(H,6,7)
InChIKeyBIESYRONSKDLJV-UHFFFAOYSA-N
MW474.51 g/mol
LogP2.53
Rot. Bonds6

About 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid

1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155836806) has the molecular formula C20H25F3N4O4S and a molecular weight of 474.51 g/mol. Its IUPAC name is 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155836806
Molecular FormulaC20H25F3N4O4S
Molecular Weight474.51 g/mol
Exact Mass474.15
IUPAC Name1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1C(=O)NCCC1CCOC12CN(Cc1cccs1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O2S.C2HF3O2/c1-21-8-7-19-16(21)17(23)20-6-4-14-5-9-24-18(14)12-22(13-18)11-15-3-2-10-25-15;3-2(4,5)1(6)7/h2-3,7-8,10,14H,4-6,9,11-13H2,1H3,(H,20,23);(H,6,7)
InChIKeyBIESYRONSKDLJV-UHFFFAOYSA-N
XLogP2.53
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;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-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155836806) is 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid is Cn1ccnc1C(=O)NCCC1CCOC12CN(Cc1cccs1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BIESYRONSKDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.C2HF3O2/c1-21-8-7-19-16(21)17(23)20-6-4-14-5-9-24-18(14)12-22(13-18)11-15-3-2-10-25-15;3-2(4,5)1(6)7/h2-3,7-8,10,14H,4-6,9,11-13H2,1H3,(H,20,23);(H,6,7).
What are the key properties of 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 474.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).