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

C14H13NO3S2 — CID 164636365

IUPAC5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid
SMILESC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H13NO3S2/c1-8-9-5-7-19-10(9)4-6-15(8)13(16)11-2-3-12(20-11)14(17)18/h2-3,5,7-8H,4,6H2,1H3,(H,17,18)/t8-/m0/s1
InChIKeyXZFIERQNGNYXOB-QMMMGPOBSA-N
MW307.40 g/mol
LogP3.27
Rot. Bonds2

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

5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid (PubChem CID 164636365) has the molecular formula C14H13NO3S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid
PubChem CID164636365
Molecular FormulaC14H13NO3S2
Molecular Weight307.40 g/mol
Exact Mass307.03
IUPAC Name5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid
SMILESC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H13NO3S2/c1-8-9-5-7-19-10(9)4-6-15(8)13(16)11-2-3-12(20-11)14(17)18/h2-3,5,7-8H,4,6H2,1H3,(H,17,18)/t8-/m0/s1
InChIKeyXZFIERQNGNYXOB-QMMMGPOBSA-N
XLogP3.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid (CID 164636365) is 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid is C[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is XZFIERQNGNYXOB-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H13NO3S2/c1-8-9-5-7-19-10(9)4-6-15(8)13(16)11-2-3-12(20-11)14(17)18/h2-3,5,7-8H,4,6H2,1H3,(H,17,18)/t8-/m0/s1.
What are the key properties of 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid?
5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 307.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 164636365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).