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

C15H10N2OS — CID 2320581

IUPAC2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole
SMILESc1ccc2oc(Cc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C15H10N2OS/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2
InChIKeySSYYDTWJYBUEFR-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.03
Rot. Bonds2

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

2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole (PubChem CID 2320581) has the molecular formula C15H10N2OS and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole
PubChem CID2320581
Molecular FormulaC15H10N2OS
Molecular Weight266.32 g/mol
Exact Mass266.05
IUPAC Name2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole
SMILESc1ccc2oc(Cc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C15H10N2OS/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2
InChIKeySSYYDTWJYBUEFR-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole (CID 2320581) is 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole is c1ccc2oc(Cc3nc4ccccc4s3)nc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is SSYYDTWJYBUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole?
2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 266.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 2320581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).