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

C14H16N2O2S2 — CID 167837775

IUPAC6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1nc(CN2CCc3cc(C(=O)O)sc3C2)c(C)s1
InChIInChI=1S/C14H16N2O2S2/c1-8-11(15-9(2)19-8)6-16-4-3-10-5-12(14(17)18)20-13(10)7-16/h5H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyDRWHDBJPPLNFCH-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.08
Rot. Bonds3

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

6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 167837775) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID167837775
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1nc(CN2CCc3cc(C(=O)O)sc3C2)c(C)s1
InChIInChI=1S/C14H16N2O2S2/c1-8-11(15-9(2)19-8)6-16-4-3-10-5-12(14(17)18)20-13(10)7-16/h5H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyDRWHDBJPPLNFCH-UHFFFAOYSA-N
XLogP3.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (CID 167837775) is 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is Cc1nc(CN2CCc3cc(C(=O)O)sc3C2)c(C)s1.
What is the InChIKey of 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is DRWHDBJPPLNFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-8-11(15-9(2)19-8)6-16-4-3-10-5-12(14(17)18)20-13(10)7-16/h5H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 308.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 167837775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).