2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid

C9H7NO2S2 — CID 53271804

IUPAC2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2cccs2)s1
InChIInChI=1S/C9H7NO2S2/c1-5-10-7(9(11)12)8(14-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12)
InChIKeyAUXBSWFROTVOCO-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.88
Rot. Bonds2

About 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid

2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 53271804) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID53271804
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2cccs2)s1
InChIInChI=1S/C9H7NO2S2/c1-5-10-7(9(11)12)8(14-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12)
InChIKeyAUXBSWFROTVOCO-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 53271192
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 106510610
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510621
3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
CID 82470643
2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 131333858
2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
5-(1-methylsulfonylethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 104517925
8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid (CID 53271804) is 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid is Cc1nc(C(=O)O)c(-c2cccs2)s1.
What is the InChIKey of 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is AUXBSWFROTVOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-5-10-7(9(11)12)8(14-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12).
What are the key properties of 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 53271804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).