3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid

C13H8FNO2S2 — CID 83035556

IUPAC3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid
SMILESNc1cc(-c2cc3ccc(F)cc3s2)sc1C(=O)O
InChIInChI=1S/C13H8FNO2S2/c14-7-2-1-6-3-10(18-9(6)4-7)11-5-8(15)12(19-11)13(16)17/h1-5H,15H2,(H,16,17)
InChIKeyBCWBTRLRPQPQRC-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.05
Rot. Bonds2

About 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid

3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid (PubChem CID 83035556) has the molecular formula C13H8FNO2S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid
PubChem CID83035556
Molecular FormulaC13H8FNO2S2
Molecular Weight293.34 g/mol
Exact Mass293.00
IUPAC Name3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid
SMILESNc1cc(-c2cc3ccc(F)cc3s2)sc1C(=O)O
InChIInChI=1S/C13H8FNO2S2/c14-7-2-1-6-3-10(18-9(6)4-7)11-5-8(15)12(19-11)13(16)17/h1-5H,15H2,(H,16,17)
InChIKeyBCWBTRLRPQPQRC-UHFFFAOYSA-N
XLogP4.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid (CID 83035556) is 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid is Nc1cc(-c2cc3ccc(F)cc3s2)sc1C(=O)O.
What is the InChIKey of 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid?
The InChIKey is BCWBTRLRPQPQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2S2/c14-7-2-1-6-3-10(18-9(6)4-7)11-5-8(15)12(19-11)13(16)17/h1-5H,15H2,(H,16,17).
What are the key properties of 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid?
3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83035556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).