5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid

C19H16N2O2S — CID 174490456

IUPAC5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESCN(C=Cc1ccccc1)c1cccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C19H16N2O2S/c1-21(13-12-14-6-3-2-4-7-14)18-9-5-8-15(20-18)16-10-11-17(24-16)19(22)23/h2-13H,1H3,(H,22,23)
InChIKeyCDWZDRZGETWSTF-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.62
Rot. Bonds5

About 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid

5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid (PubChem CID 174490456) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid
PubChem CID174490456
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESCN(C=Cc1ccccc1)c1cccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C19H16N2O2S/c1-21(13-12-14-6-3-2-4-7-14)18-9-5-8-15(20-18)16-10-11-17(24-16)19(22)23/h2-13H,1H3,(H,22,23)
InChIKeyCDWZDRZGETWSTF-UHFFFAOYSA-N
XLogP4.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid (CID 174490456) is 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid is CN(C=Cc1ccccc1)c1cccc(-c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid?
The InChIKey is CDWZDRZGETWSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-21(13-12-14-6-3-2-4-7-14)18-9-5-8-15(20-18)16-10-11-17(24-16)19(22)23/h2-13H,1H3,(H,22,23).
What are the key properties of 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid?
5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid has a molecular weight of 336.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 174490456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).