2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid

C11H5ClN2O2S2 — CID 22143586

IUPAC2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cc3nccc(Cl)c3s2)n1
InChIInChI=1S/C11H5ClN2O2S2/c12-5-1-2-13-6-3-8(18-9(5)6)10-14-7(4-17-10)11(15)16/h1-4H,(H,15,16)
InChIKeyUMPASXGMRYHSBB-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.77
Rot. Bonds2

About 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid

2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 22143586) has the molecular formula C11H5ClN2O2S2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID22143586
Molecular FormulaC11H5ClN2O2S2
Molecular Weight296.76 g/mol
Exact Mass295.95
IUPAC Name2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cc3nccc(Cl)c3s2)n1
InChIInChI=1S/C11H5ClN2O2S2/c12-5-1-2-13-6-3-8(18-9(5)6)10-14-7(4-17-10)11(15)16/h1-4H,(H,15,16)
InChIKeyUMPASXGMRYHSBB-UHFFFAOYSA-N
XLogP3.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid (CID 22143586) is 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cc3nccc(Cl)c3s2)n1.
What is the InChIKey of 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UMPASXGMRYHSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2O2S2/c12-5-1-2-13-6-3-8(18-9(5)6)10-14-7(4-17-10)11(15)16/h1-4H,(H,15,16).
What are the key properties of 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid?
2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 296.76 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22143586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).