3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one

C11H8N2O2S — CID 659850

IUPAC3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2nccs2)c2ccccc21
InChIInChI=1S/C11H8N2O2S/c14-10-8-4-2-1-3-7(8)9(15-10)13-11-12-5-6-16-11/h1-6,9H,(H,12,13)
InChIKeyZQWUKVVSXIBRAJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.42
Rot. Bonds2

About 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one

3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one (PubChem CID 659850) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one
PubChem CID659850
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2nccs2)c2ccccc21
InChIInChI=1S/C11H8N2O2S/c14-10-8-4-2-1-3-7(8)9(15-10)13-11-12-5-6-16-11/h1-6,9H,(H,12,13)
InChIKeyZQWUKVVSXIBRAJ-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-benzofuran-1(3H)-one
CID 6710578
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
CID 3693619
2-(1,3-Thiazol-2-ylcarbamoyl)benzoic acid
CID 315800
methyl 2-[(E)-3-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]prop-2-enoyl]benzoate
CID 10046032
2-Fluoro-6-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 177643235
3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-6,7-didehydro-3H-2-benzofuran-1-one
CID 3152839
3-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}-2-benzofuran-1(3H)-one
CID 3801783
[4-(1,3-Thiazol-2-ylcarbamoyl)phenyl]methyl acetate
CID 4800401
4-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 5132461
3-{[4-(3,4-Dimethylphenyl)-1,3-thiazol-2-YL]amino}-1,3-dihydro-2-benzofuran-1-one
CID 6620822
Methyl 2-(thiazol-2-ylcarbamoyl)benzoate
CID 11219204
5-Methyl-2-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 177641329

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one (CID 659850) is 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one is O=C1OC(Nc2nccs2)c2ccccc21.
What is the InChIKey of 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one?
The InChIKey is ZQWUKVVSXIBRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-10-8-4-2-1-3-7(8)9(15-10)13-11-12-5-6-16-11/h1-6,9H,(H,12,13).
What are the key properties of 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one?
3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one has a molecular weight of 232.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 659850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).