5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

C14H10N2O2S2 — CID 63555231

IUPAC5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCc1cccc(-c2nc(-c3cc(C(=O)O)cs3)cs2)n1
InChIInChI=1S/C14H10N2O2S2/c1-8-3-2-4-10(15-8)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyLZGCEDHZQFFNRA-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.94
Rot. Bonds3

About 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 63555231) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID63555231
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCc1cccc(-c2nc(-c3cc(C(=O)O)cs3)cs2)n1
InChIInChI=1S/C14H10N2O2S2/c1-8-3-2-4-10(15-8)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyLZGCEDHZQFFNRA-UHFFFAOYSA-N
XLogP3.94
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 63555231) is 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is Cc1cccc(-c2nc(-c3cc(C(=O)O)cs3)cs2)n1.
What is the InChIKey of 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is LZGCEDHZQFFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c1-8-3-2-4-10(15-8)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 302.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 63555231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).