5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid

C15H17NO2S2 — CID 80727247

IUPAC5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCc2sccc2C1C
InChIInChI=1S/C15H17NO2S2/c1-9-12-4-6-19-13(12)3-5-16(9)8-11-7-14(15(17)18)20-10(11)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,18)
InChIKeyBSCZFLXJSRNITR-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.94
Rot. Bonds3

About 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid

5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 80727247) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid
PubChem CID80727247
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCc2sccc2C1C
InChIInChI=1S/C15H17NO2S2/c1-9-12-4-6-19-13(12)3-5-16(9)8-11-7-14(15(17)18)20-10(11)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,18)
InChIKeyBSCZFLXJSRNITR-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid (CID 80727247) is 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CN1CCc2sccc2C1C.
What is the InChIKey of 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is BSCZFLXJSRNITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-9-12-4-6-19-13(12)3-5-16(9)8-11-7-14(15(17)18)20-10(11)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid?
5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 307.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 80727247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).