7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole

C10H5BrN2OS — CID 89480573

IUPAC7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole
SMILESBrc1cccc2c(-c3nccs3)noc12
InChIInChI=1S/C10H5BrN2OS/c11-7-3-1-2-6-8(13-14-9(6)7)10-12-4-5-15-10/h1-5H
InChIKeyCUQJQSWKQGMWCU-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.71
Rot. Bonds1

About 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole

7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole (PubChem CID 89480573) has the molecular formula C10H5BrN2OS and a molecular weight of 281.13 g/mol. Its IUPAC name is 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole
PubChem CID89480573
Molecular FormulaC10H5BrN2OS
Molecular Weight281.13 g/mol
Exact Mass279.93
IUPAC Name7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole
SMILESBrc1cccc2c(-c3nccs3)noc12
InChIInChI=1S/C10H5BrN2OS/c11-7-3-1-2-6-8(13-14-9(6)7)10-12-4-5-15-10/h1-5H
InChIKeyCUQJQSWKQGMWCU-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole?
The IUPAC name of 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole (CID 89480573) is 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole.
What is the SMILES notation for 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole?
The canonical SMILES for 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole is Brc1cccc2c(-c3nccs3)noc12.
What is the InChIKey of 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole?
The InChIKey is CUQJQSWKQGMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2OS/c11-7-3-1-2-6-8(13-14-9(6)7)10-12-4-5-15-10/h1-5H.
What are the key properties of 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole?
7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole has a molecular weight of 281.13 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole is sourced from PubChem (CID 89480573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).