5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid

C15H14ClNO2S — CID 173065142

IUPAC5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
SMILESCN(C)C=Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)O
InChIInChI=1S/C15H14ClNO2S/c1-17(2)8-7-11-9-13(20-14(11)15(18)19)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,18,19)
InChIKeyOSIBXXPIRJAJAE-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.30
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid

5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid (PubChem CID 173065142) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
PubChem CID173065142
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
SMILESCN(C)C=Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)O
InChIInChI=1S/C15H14ClNO2S/c1-17(2)8-7-11-9-13(20-14(11)15(18)19)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,18,19)
InChIKeyOSIBXXPIRJAJAE-UHFFFAOYSA-N
XLogP4.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195
3-formyl-5-phenylthiophene-2-carboxylic acid
CID 22496239
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 2757211
[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone
CID 132849028
2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide
CID 170895609
3-[(4-chlorobenzoyl)-(1-fluoropropan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid
CID 70974268
(E)-2-[5-(4-chlorophenyl)-2-methylthiophen-3-yl]ethenamine
CID 143903014
2-carboxy-5-(4-chlorophenyl)-3-[4-(sulfinatoamino)phenyl]thiophene
CID 118213662
3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
CID 83034927
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
CID 10938449
(1E,4Z)-1-(4-chlorophenyl)-5-(dimethylamino)penta-1,4-dien-3-one
CID 92898014
4-[[5-(4-chlorophenyl)-2-methoxycarbonylthiophen-3-yl]amino]-4-oxobut-2-enoic acid
CID 2814790

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid (CID 173065142) is 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid is CN(C)C=Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid?
The InChIKey is OSIBXXPIRJAJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-17(2)8-7-11-9-13(20-14(11)15(18)19)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid?
5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid has a molecular weight of 307.80 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 173065142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).