5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C13H14N2O2S2 — CID 65169199

IUPAC5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1nc(N2CCc3sccc3C2C(=O)O)sc1C
InChIInChI=1S/C13H14N2O2S2/c1-7-8(2)19-13(14-7)15-5-3-10-9(4-6-18-10)11(15)12(16)17/h4,6,11H,3,5H2,1-2H3,(H,16,17)
InChIKeyHWEKNHNKNQJEHA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.01
Rot. Bonds2

About 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 65169199) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID65169199
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1nc(N2CCc3sccc3C2C(=O)O)sc1C
InChIInChI=1S/C13H14N2O2S2/c1-7-8(2)19-13(14-7)15-5-3-10-9(4-6-18-10)11(15)12(16)17/h4,6,11H,3,5H2,1-2H3,(H,16,17)
InChIKeyHWEKNHNKNQJEHA-UHFFFAOYSA-N
XLogP3.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 63208319
5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65270408
4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde
CID 62766605
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396690
N-[[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767515
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371886
N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine
CID 62753226
5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62339629
5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 66127754
5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 112602093
5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072363
5-[(Z)-3-chloro-2-methylprop-2-enyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 106439237

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 65169199) is 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is Cc1nc(N2CCc3sccc3C2C(=O)O)sc1C.
What is the InChIKey of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is HWEKNHNKNQJEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-7-8(2)19-13(14-7)15-5-3-10-9(4-6-18-10)11(15)12(16)17/h4,6,11H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 65169199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).