4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid

C15H12N2O3S — CID 53321671

IUPAC4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCOc1cccc(Nc2nc(C(=O)O)cc3sccc23)c1
InChIInChI=1S/C15H12N2O3S/c1-20-10-4-2-3-9(7-10)16-14-11-5-6-21-13(11)8-12(17-14)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyWDRVDNDIQDNQDP-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.75
Rot. Bonds4

About 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid

4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53321671) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53321671
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCOc1cccc(Nc2nc(C(=O)O)cc3sccc23)c1
InChIInChI=1S/C15H12N2O3S/c1-20-10-4-2-3-9(7-10)16-14-11-5-6-21-13(11)8-12(17-14)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyWDRVDNDIQDNQDP-UHFFFAOYSA-N
XLogP3.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid (CID 53321671) is 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid is COc1cccc(Nc2nc(C(=O)O)cc3sccc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is WDRVDNDIQDNQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-20-10-4-2-3-9(7-10)16-14-11-5-6-21-13(11)8-12(17-14)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53321671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).