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

C15H10N2OS2 — CID 2367151

IUPAC2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2oc(SCc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C15H10N2OS2/c1-3-7-12-10(5-1)17-15(18-12)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8H,9H2
InChIKeyTWNXLKOZGNCMOC-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.73
Rot. Bonds3

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

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole (PubChem CID 2367151) has the molecular formula C15H10N2OS2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole
PubChem CID2367151
Molecular FormulaC15H10N2OS2
Molecular Weight298.39 g/mol
Exact Mass298.02
IUPAC Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2oc(SCc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C15H10N2OS2/c1-3-7-12-10(5-1)17-15(18-12)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8H,9H2
InChIKeyTWNXLKOZGNCMOC-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole (CID 2367151) is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole is c1ccc2oc(SCc3nc4ccccc4s3)nc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole?
The InChIKey is TWNXLKOZGNCMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS2/c1-3-7-12-10(5-1)17-15(18-12)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8H,9H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole?
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-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-ylmethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 2367151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).