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

C8H5NO3S — CID 43156440

IUPAC2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C8H5NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h1-4H,(H,10,11)
InChIKeyPKXIBGCQUJMWRQ-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.10
Rot. Bonds2

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

2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 43156440) 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-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID43156440
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C8H5NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h1-4H,(H,10,11)
InChIKeyPKXIBGCQUJMWRQ-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

2-Furan-2-yl-5-methyl-thiazol-4-ol
CID 15691757
2-(2-Furyl)thiazole
CID 526186
2-(2-furyl)-4-methyl-1,3-thiazole-5-carboxylic Acid
CID 7174485
2-(Furan-2-yl)-5-methyl-1,3-thiazole
CID 19354355
[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 53594017
2-[2-[2-(Furan-2-yl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid
CID 72045376
[(2S,4S)-1-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpiperidin-4-yl]methanol
CID 132359564
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-1-amine
CID 164630629
Aminothiazolyl-furan
CID 129781024
Methyl 3-fluoro-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidine-3-carboxylate
CID 75471029
2-(Furan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276872
N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 86820086

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 43156440) is 2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccco2)s1.
What is the InChIKey of 2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PKXIBGCQUJMWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h1-4H,(H,10,11).
What are the key properties of 2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(furan-2-yl)-1,3-thiazole-5-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-5-carboxylic acid is sourced from PubChem (CID 43156440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).