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

C15H10N2O2S — CID 650030

IUPAC3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C15H10N2O2S/c18-14-10-6-2-1-5-9(10)13(19-14)17-15-16-11-7-3-4-8-12(11)20-15/h1-8,13H,(H,16,17)
InChIKeyZQZXHLHDXZSDLU-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.58
Rot. Bonds2

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

3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one (PubChem CID 650030) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one
PubChem CID650030
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C15H10N2O2S/c18-14-10-6-2-1-5-9(10)13(19-14)17-15-16-11-7-3-4-8-12(11)20-15/h1-8,13H,(H,16,17)
InChIKeyZQZXHLHDXZSDLU-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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'-(Benzo[d]thiazol-2-ylcarbamoyl)-[1,1'-biphenyl]-2-carboxylic acid
CID 1080186
Ethyl 2-methyl-1-{2-[(4-methyl-1,3-benzothiazol-2-YL)carbamoyl]ethyl}-5-phenyl-1H-pyrrole-3-carboxylate
CID 4520917
Ethyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
CID 7110055
N-Benzothiazol-2-yl-4-methyl-phthalamic acid
CID 686071
N-(1,3-benzothiazol-2-yl)-1-oxo-1H-isochromene-3-carboxamide
CID 752991
Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate
CID 324317
1'-(1,3-Benzothiazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 44580502
Methyl 4-[[(2-amino-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate
CID 110451673
methyl 4-[5-(1,3-benzothiazol-2-ylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate
CID 118733019
Ethyl 4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoylamino]benzoate
CID 59825437

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one (CID 650030) is 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one is O=C1OC(Nc2nc3ccccc3s2)c2ccccc21.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one?
The InChIKey is ZQZXHLHDXZSDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-14-10-6-2-1-5-9(10)13(19-14)17-15-16-11-7-3-4-8-12(11)20-15/h1-8,13H,(H,16,17).
What are the key properties of 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one?
3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one has a molecular weight of 282.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 650030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).