1,3-benzothiazole;1,2-benzoxazole

C14H10N2OS — CID 122587912

IUPAC1,3-benzothiazole;1,2-benzoxazole
SMILESc1ccc2oncc2c1.c1ccc2scnc2c1
InChIInChI=1S/C7H5NO.C7H5NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7/h2*1-5H
InChIKeyJZAJYPLYYMWYTF-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.12
Rot. Bonds

About 1,3-benzothiazole;1,2-benzoxazole

1,3-benzothiazole;1,2-benzoxazole (PubChem CID 122587912) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 1,3-benzothiazole;1,2-benzoxazole.

Molecular Properties

Compound Name1,3-benzothiazole;1,2-benzoxazole
PubChem CID122587912
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name1,3-benzothiazole;1,2-benzoxazole
SMILESc1ccc2oncc2c1.c1ccc2scnc2c1
InChIInChI=1S/C7H5NO.C7H5NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7/h2*1-5H
InChIKeyJZAJYPLYYMWYTF-UHFFFAOYSA-N
XLogP4.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;1,2-benzoxazole?
The IUPAC name of 1,3-benzothiazole;1,2-benzoxazole (CID 122587912) is 1,3-benzothiazole;1,2-benzoxazole.
What is the SMILES notation for 1,3-benzothiazole;1,2-benzoxazole?
The canonical SMILES for 1,3-benzothiazole;1,2-benzoxazole is c1ccc2oncc2c1.c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole;1,2-benzoxazole?
The InChIKey is JZAJYPLYYMWYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.C7H5NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7/h2*1-5H.
What are the key properties of 1,3-benzothiazole;1,2-benzoxazole?
1,3-benzothiazole;1,2-benzoxazole has a molecular weight of 254.31 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;1,2-benzoxazole is sourced from PubChem (CID 122587912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).