5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid

C11H11NO2S2 — CID 106510610

IUPAC5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(-c2sc(C)nc2C(=O)O)c(C)s1
InChIInChI=1S/C11H11NO2S2/c1-5-4-8(6(2)15-5)10-9(11(13)14)12-7(3)16-10/h4H,1-3H3,(H,13,14)
InChIKeyTZRVUZUKXFMSDQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.50
Rot. Bonds2

About 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid

5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510610) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510610
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(-c2sc(C)nc2C(=O)O)c(C)s1
InChIInChI=1S/C11H11NO2S2/c1-5-4-8(6(2)15-5)10-9(11(13)14)12-7(3)16-10/h4H,1-3H3,(H,13,14)
InChIKeyTZRVUZUKXFMSDQ-UHFFFAOYSA-N
XLogP3.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid (CID 106510610) is 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid is Cc1cc(-c2sc(C)nc2C(=O)O)c(C)s1.
What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is TZRVUZUKXFMSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-5-4-8(6(2)15-5)10-9(11(13)14)12-7(3)16-10/h4H,1-3H3,(H,13,14).
What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid?
5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 253.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).