2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid

C9H7NO2S2 — CID 130581375

IUPAC2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1sccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C9H7NO2S2/c1-5-6(2-3-13-5)8-10-7(4-14-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyJCWSQBBRWXLTGN-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.88
Rot. Bonds2

About 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid

2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 130581375) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID130581375
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1sccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C9H7NO2S2/c1-5-6(2-3-13-5)8-10-7(4-14-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyJCWSQBBRWXLTGN-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-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 169498576
2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 82676392
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79978534
2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83294123
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid
CID 167807366
2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79979819
2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82670099

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid (CID 130581375) is 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid is Cc1sccc1-c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is JCWSQBBRWXLTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-5-6(2-3-13-5)8-10-7(4-14-8)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid?
2-(2-methylthiophen-3-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-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 130581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).