1,3-benzothiazole;1,3-oxazole

C10H8N2OS — CID 66916692

IUPAC1,3-benzothiazole;1,3-oxazole
SMILESc1ccc2scnc2c1.c1cocn1
InChIInChI=1S/C7H5NS.C3H3NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyIGBADGOFZQWWEO-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.97
Rot. Bonds

About 1,3-benzothiazole;1,3-oxazole

1,3-benzothiazole;1,3-oxazole (PubChem CID 66916692) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 1,3-benzothiazole;1,3-oxazole.

Molecular Properties

Compound Name1,3-benzothiazole;1,3-oxazole
PubChem CID66916692
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name1,3-benzothiazole;1,3-oxazole
SMILESc1ccc2scnc2c1.c1cocn1
InChIInChI=1S/C7H5NS.C3H3NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyIGBADGOFZQWWEO-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;1,3-oxazole?
The IUPAC name of 1,3-benzothiazole;1,3-oxazole (CID 66916692) is 1,3-benzothiazole;1,3-oxazole.
What is the SMILES notation for 1,3-benzothiazole;1,3-oxazole?
The canonical SMILES for 1,3-benzothiazole;1,3-oxazole is c1ccc2scnc2c1.c1cocn1.
What is the InChIKey of 1,3-benzothiazole;1,3-oxazole?
The InChIKey is IGBADGOFZQWWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C3H3NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-5H;1-3H.
What are the key properties of 1,3-benzothiazole;1,3-oxazole?
1,3-benzothiazole;1,3-oxazole has a molecular weight of 204.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;1,3-oxazole is sourced from PubChem (CID 66916692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).