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

C8H5NO3S — CID 15623072

IUPAC2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccco2)n1
InChIInChI=1S/C8H5NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
InChIKeyHYMZKFYFRXCTCA-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.10
Rot. Bonds2

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

2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 15623072) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID15623072
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccco2)n1
InChIInChI=1S/C8H5NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
InChIKeyHYMZKFYFRXCTCA-UHFFFAOYSA-N
XLogP2.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 75364199
CID 75364199
4-Thiazolecarboxamide, 2-(5-(hydroxymethyl)-2-furanyl)-
CID 335825
2-Furan-2-yl-5-methyl-thiazol-4-ol
CID 15691757
4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole
CID 5303055
2-(2-Furyl)thiazole
CID 526186
(5-(2-Methyl-1,3-thiazol-4-yl)furan-2-yl)methanamine
CID 7131884
(2-(Furan-2-yl)-1,3-thiazol-4-yl)methanamine
CID 60718965
2-(Furan-2-yl)-1,3-thiazole-4-carbaldehyde
CID 45792407
Methyl 2-[5-(hydroxymethyl)-2-furyl]thiazole-4-carboxylate
CID 335823
2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 39975237
1-[4-[2-(Furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39975861
2-[2-(Furan-2-yl)-1,3-thiazol-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 45810333

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid (CID 15623072) is 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HYMZKFYFRXCTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11).
What are the key properties of 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid?
2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 15623072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).