3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

C17H13ClN2O2S — CID 22269266

IUPAC3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(/C=C/c2ccc(Cl)cc2)c2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/C17H13ClN2O2S/c1-9-8-11(5-2-10-3-6-12(18)7-4-10)13-14(19)15(17(21)22)23-16(13)20-9/h2-8H,19H2,1H3,(H,21,22)/b5-2+
InChIKeyBCRDYKSZZIUIRN-GORDUTHDSA-N
MW344.82 g/mol
LogP4.71
Rot. Bonds3

About 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22269266) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID22269266
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(/C=C/c2ccc(Cl)cc2)c2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/C17H13ClN2O2S/c1-9-8-11(5-2-10-3-6-12(18)7-4-10)13-14(19)15(17(21)22)23-16(13)20-9/h2-8H,19H2,1H3,(H,21,22)/b5-2+
InChIKeyBCRDYKSZZIUIRN-GORDUTHDSA-N
XLogP4.71
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278563
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278581
[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 10864030
2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 6213121
3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278572
[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
CID 144756244
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 10338484
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 99989482
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8602142
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid (CID 22269266) is 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1cc(/C=C/c2ccc(Cl)cc2)c2c(N)c(C(=O)O)sc2n1.
What is the InChIKey of 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is BCRDYKSZZIUIRN-GORDUTHDSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-9-8-11(5-2-10-3-6-12(18)7-4-10)13-14(19)15(17(21)22)23-16(13)20-9/h2-8H,19H2,1H3,(H,21,22)/b5-2+.
What are the key properties of 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 344.82 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22269266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).