benzo[g][1,3]benzothiazole;1,3-oxazole

C14H10N2OS — CID 21253984

IUPACbenzo[g][1,3]benzothiazole;1,3-oxazole
SMILESc1ccc2c(c1)ccc1ncsc12.c1cocn1
InChIInChI=1S/C11H7NS.C3H3NO/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;1-2-5-3-4-1/h1-7H;1-3H
InChIKeyHWZKWFBXOFQEIV-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.12
Rot. Bonds

About benzo[g][1,3]benzothiazole;1,3-oxazole

benzo[g][1,3]benzothiazole;1,3-oxazole (PubChem CID 21253984) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is benzo[g][1,3]benzothiazole;1,3-oxazole.

Molecular Properties

Compound Namebenzo[g][1,3]benzothiazole;1,3-oxazole
PubChem CID21253984
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Namebenzo[g][1,3]benzothiazole;1,3-oxazole
SMILESc1ccc2c(c1)ccc1ncsc12.c1cocn1
InChIInChI=1S/C11H7NS.C3H3NO/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;1-2-5-3-4-1/h1-7H;1-3H
InChIKeyHWZKWFBXOFQEIV-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 benzo[g][1,3]benzothiazole;1,3-oxazole?
The IUPAC name of benzo[g][1,3]benzothiazole;1,3-oxazole (CID 21253984) is benzo[g][1,3]benzothiazole;1,3-oxazole.
What is the SMILES notation for benzo[g][1,3]benzothiazole;1,3-oxazole?
The canonical SMILES for benzo[g][1,3]benzothiazole;1,3-oxazole is c1ccc2c(c1)ccc1ncsc12.c1cocn1.
What is the InChIKey of benzo[g][1,3]benzothiazole;1,3-oxazole?
The InChIKey is HWZKWFBXOFQEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS.C3H3NO/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;1-2-5-3-4-1/h1-7H;1-3H.
What are the key properties of benzo[g][1,3]benzothiazole;1,3-oxazole?
benzo[g][1,3]benzothiazole;1,3-oxazole 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 benzo[g][1,3]benzothiazole;1,3-oxazole is sourced from PubChem (CID 21253984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).