3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one

C15H10N2O2S2 — CID 658030

IUPAC3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CSc1nc2ccccc2s1
InChIInChI=1S/C15H10N2O2S2/c18-15-17(11-6-2-3-7-12(11)19-15)9-20-14-16-10-5-1-4-8-13(10)21-14/h1-8H,9H2
InChIKeyBRHLUJVLPMNGRC-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.95
Rot. Bonds3

About 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one

3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one (PubChem CID 658030) has the molecular formula C15H10N2O2S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one
PubChem CID658030
Molecular FormulaC15H10N2O2S2
Molecular Weight314.39 g/mol
Exact Mass314.02
IUPAC Name3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CSc1nc2ccccc2s1
InChIInChI=1S/C15H10N2O2S2/c18-15-17(11-6-2-3-7-12(11)19-15)9-20-14-16-10-5-1-4-8-13(10)21-14/h1-8H,9H2
InChIKeyBRHLUJVLPMNGRC-UHFFFAOYSA-N
XLogP3.95
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-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-(1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)-1,3-oxazolidin-2-one
CID 11315811
2-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 11484587
3-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-yl)-1,3-oxazolidin-2-one
CID 24901586
3-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)-1,3-oxazolidin-2-one
CID 24901587
2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949690
2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thio]benzothiazole
CID 24949857
2-Sulfamoyl-1,3-benzothiazol-6-yl dimethylcarbamate
CID 44461957
3-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2879574
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 3163776
2-[[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]thio]benzothiazole
CID 24949383
2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thio]benzothiazole
CID 24949858
(2Z,5Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-1,3-thiazolidin-4-one iodide
CID 135415262

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one (CID 658030) is 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CSc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is BRHLUJVLPMNGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S2/c18-15-17(11-6-2-3-7-12(11)19-15)9-20-14-16-10-5-1-4-8-13(10)21-14/h1-8H,9H2.
What are the key properties of 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one?
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 314.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 658030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).