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

C11H11NO2S2 — CID 58112089

IUPAC5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid
SMILESCc1nc(CCc2ccc(C(=O)O)s2)cs1
InChIInChI=1S/C11H11NO2S2/c1-7-12-8(6-15-7)2-3-9-4-5-10(16-9)11(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyXEEBGQKFQPXURP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.00
Rot. Bonds4

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

5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid (PubChem CID 58112089) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid
PubChem CID58112089
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid
SMILESCc1nc(CCc2ccc(C(=O)O)s2)cs1
InChIInChI=1S/C11H11NO2S2/c1-7-12-8(6-15-7)2-3-9-4-5-10(16-9)11(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyXEEBGQKFQPXURP-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid (CID 58112089) is 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid is Cc1nc(CCc2ccc(C(=O)O)s2)cs1.
What is the InChIKey of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid?
The InChIKey is XEEBGQKFQPXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-7-12-8(6-15-7)2-3-9-4-5-10(16-9)11(13)14/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid?
5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid has a molecular weight of 253.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 58112089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).