4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid

C12H12N2O2S2 — CID 43664585

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CN2CCc3sccc3C2)cs1
InChIInChI=1S/C12H12N2O2S2/c15-12(16)11-13-9(7-18-11)6-14-3-1-10-8(5-14)2-4-17-10/h2,4,7H,1,3,5-6H2,(H,15,16)
InChIKeyOZIIQBAYMUVEEF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.46
Rot. Bonds3

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 43664585) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID43664585
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CN2CCc3sccc3C2)cs1
InChIInChI=1S/C12H12N2O2S2/c15-12(16)11-13-9(7-18-11)6-14-3-1-10-8(5-14)2-4-17-10/h2,4,7H,1,3,5-6H2,(H,15,16)
InChIKeyOZIIQBAYMUVEEF-UHFFFAOYSA-N
XLogP2.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid (CID 43664585) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CN2CCc3sccc3C2)cs1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is OZIIQBAYMUVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c15-12(16)11-13-9(7-18-11)6-14-3-1-10-8(5-14)2-4-17-10/h2,4,7H,1,3,5-6H2,(H,15,16).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).