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

C9H7NO3S — CID 82126671

IUPAC5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)sc1-c1ccco1
InChIInChI=1S/C9H7NO3S/c1-5-7(6-3-2-4-13-6)14-8(10-5)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyYFLNRMQVMYVQIF-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.41
Rot. Bonds2

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

5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid (PubChem CID 82126671) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
PubChem CID82126671
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)sc1-c1ccco1
InChIInChI=1S/C9H7NO3S/c1-5-7(6-3-2-4-13-6)14-8(10-5)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyYFLNRMQVMYVQIF-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

4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid
CID 59337820
4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid
CID 165447400
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
6-(furan-2-yl)-2-methylpyrimidine-4-carboxylic acid
CID 121206884
5-(furan-2-yl)-3-hydroxythiophene-2-carboxylic acid
CID 112546100
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid
CID 117098928
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 94285993

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid (CID 82126671) is 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid is Cc1nc(C(=O)O)sc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is YFLNRMQVMYVQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-5-7(6-3-2-4-13-6)14-8(10-5)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid?
5-(furan-2-yl)-4-methyl-1,3-thiazole-2-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 5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 82126671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).