2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid

C14H12FN3O2S — CID 71821462

IUPAC2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid
SMILESCN(C)c1nc2cc(C(=O)O)sc2n1-c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O2S/c1-17(2)14-16-10-7-11(13(19)20)21-12(10)18(14)9-5-3-8(15)4-6-9/h3-7H,1-2H3,(H,19,20)
InChIKeyMJDMOKHBWUTDGJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.99
Rot. Bonds3

About 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid

2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid (PubChem CID 71821462) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid
PubChem CID71821462
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid
SMILESCN(C)c1nc2cc(C(=O)O)sc2n1-c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O2S/c1-17(2)14-16-10-7-11(13(19)20)21-12(10)18(14)9-5-3-8(15)4-6-9/h3-7H,1-2H3,(H,19,20)
InChIKeyMJDMOKHBWUTDGJ-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid (CID 71821462) is 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid is CN(C)c1nc2cc(C(=O)O)sc2n1-c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid?
The InChIKey is MJDMOKHBWUTDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-17(2)14-16-10-7-11(13(19)20)21-12(10)18(14)9-5-3-8(15)4-6-9/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid?
2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxylic acid is sourced from PubChem (CID 71821462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).