2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid

C9H7NO3S — CID 104789074

IUPAC2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1occc1-c1ncc(C(=O)O)s1
InChIInChI=1S/C9H7NO3S/c1-5-6(2-3-13-5)8-10-4-7(14-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyZXPIUCKWQCCLIR-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.41
Rot. Bonds2

About 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid

2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 104789074) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID104789074
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1occc1-c1ncc(C(=O)O)s1
InChIInChI=1S/C9H7NO3S/c1-5-6(2-3-13-5)8-10-4-7(14-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyZXPIUCKWQCCLIR-UHFFFAOYSA-N
XLogP2.41
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 107931351
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid
CID 63867793
2-(2,6-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 43156441
1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone
CID 104806298
2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 58226859
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114905337
2-(2-methylfuran-3-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 104790568
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 82730435
2-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 130598614

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid (CID 104789074) is 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid is Cc1occc1-c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZXPIUCKWQCCLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-5-6(2-3-13-5)8-10-4-7(14-8)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid?
2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104789074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).