2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid

C14H11F3N2O3S — CID 69370652

IUPAC2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1c(N)sc2c1Cc1ccccc1-2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H10N2OS.C2HF3O2/c13-11(15)9-8-5-6-3-1-2-4-7(6)10(8)16-12(9)14;3-2(4,5)1(6)7/h1-4H,5,14H2,(H2,13,15);(H,6,7)
InChIKeyDMIHZIDLYLJOCM-UHFFFAOYSA-N
MW344.31 g/mol
LogP2.63
Rot. Bonds1

About 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid

2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69370652) has the molecular formula C14H11F3N2O3S and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69370652
Molecular FormulaC14H11F3N2O3S
Molecular Weight344.31 g/mol
Exact Mass344.04
IUPAC Name2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1c(N)sc2c1Cc1ccccc1-2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H10N2OS.C2HF3O2/c13-11(15)9-8-5-6-3-1-2-4-7(6)10(8)16-12(9)14;3-2(4,5)1(6)7/h1-4H,5,14H2,(H2,13,15);(H,6,7)
InChIKeyDMIHZIDLYLJOCM-UHFFFAOYSA-N
XLogP2.63
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2'-amino-3-hydroxyimino-7'-oxospiro[2H-indene-1,6'-4,5-dihydro-1-benzothiophene]-3'-carboxamide
CID 178179092
9H-fluorene-1-carboxamide
CID 18474131
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
ethyl 2-(3-phenylpropanoylamino)-4H-indeno[1,2-b]thiophene-3-carboxylate
CID 46094939
ethyl 2-[(2-methoxyacetyl)amino]-4H-indeno[1,2-b]thiophene-3-carboxylate
CID 46094733
2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118037506
3,3-dideuterio-2-benzofuran-1-one;2,2,2-trifluoroacetic acid
CID 175944203
10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid
CID 19860324
2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane
CID 145125122
1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid
CID 172783159
[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate
CID 15078764

Frequently Asked Questions

What is the IUPAC name of 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid (CID 69370652) is 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1c(N)sc2c1Cc1ccccc1-2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DMIHZIDLYLJOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS.C2HF3O2/c13-11(15)9-8-5-6-3-1-2-4-7(6)10(8)16-12(9)14;3-2(4,5)1(6)7/h1-4H,5,14H2,(H2,13,15);(H,6,7).
What are the key properties of 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 344.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69370652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).