1,2-benzoxazole;1,3-thiazole

C10H8N2OS — CID 90009416

IUPAC1,2-benzoxazole;1,3-thiazole
SMILESc1ccc2oncc2c1.c1cscn1
InChIInChI=1S/C7H5NO.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyDTVSMNPZZCMFNT-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.97
Rot. Bonds

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

1,2-benzoxazole;1,3-thiazole (PubChem CID 90009416) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 1,2-benzoxazole;1,3-thiazole.

Molecular Properties

Compound Name1,2-benzoxazole;1,3-thiazole
PubChem CID90009416
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name1,2-benzoxazole;1,3-thiazole
SMILESc1ccc2oncc2c1.c1cscn1
InChIInChI=1S/C7H5NO.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyDTVSMNPZZCMFNT-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

Analyze 1,2-benzoxazole;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazole;1,3-thiazole?
The IUPAC name of 1,2-benzoxazole;1,3-thiazole (CID 90009416) is 1,2-benzoxazole;1,3-thiazole.
What is the SMILES notation for 1,2-benzoxazole;1,3-thiazole?
The canonical SMILES for 1,2-benzoxazole;1,3-thiazole is c1ccc2oncc2c1.c1cscn1.
What is the InChIKey of 1,2-benzoxazole;1,3-thiazole?
The InChIKey is DTVSMNPZZCMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-5-3-4-1/h1-5H;1-3H.
What are the key properties of 1,2-benzoxazole;1,3-thiazole?
1,2-benzoxazole;1,3-thiazole 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 1,2-benzoxazole;1,3-thiazole is sourced from PubChem (CID 90009416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).