2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole

C15H10N2OS2 — CID 9453928

IUPAC2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole
SMILESc1ccc2oc(CSc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C15H10N2OS2/c1-3-7-12-10(5-1)16-14(18-12)9-19-15-17-11-6-2-4-8-13(11)20-15/h1-8H,9H2
InChIKeyCLNVTKRKSVDBIS-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.73
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole (PubChem CID 9453928) has the molecular formula C15H10N2OS2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole
PubChem CID9453928
Molecular FormulaC15H10N2OS2
Molecular Weight298.39 g/mol
Exact Mass298.02
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole
SMILESc1ccc2oc(CSc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C15H10N2OS2/c1-3-7-12-10(5-1)16-14(18-12)9-19-15-17-11-6-2-4-8-13(11)20-15/h1-8H,9H2
InChIKeyCLNVTKRKSVDBIS-UHFFFAOYSA-N
XLogP4.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole (CID 9453928) is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole is c1ccc2oc(CSc3nc4ccccc4s3)nc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole?
The InChIKey is CLNVTKRKSVDBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS2/c1-3-7-12-10(5-1)16-14(18-12)9-19-15-17-11-6-2-4-8-13(11)20-15/h1-8H,9H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole?
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole has a molecular weight of 298.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 9453928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).