6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole

C11H7BrN2S2 — CID 158770073

IUPAC6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole
SMILESBrc1ccc2nc(Cc3nccs3)sc2c1
InChIInChI=1S/C11H7BrN2S2/c12-7-1-2-8-9(5-7)16-11(14-8)6-10-13-3-4-15-10/h1-5H,6H2
InChIKeyPNPAOLMCJLHERO-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.11
Rot. Bonds2

About 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole

6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole (PubChem CID 158770073) has the molecular formula C11H7BrN2S2 and a molecular weight of 311.23 g/mol. Its IUPAC name is 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole
PubChem CID158770073
Molecular FormulaC11H7BrN2S2
Molecular Weight311.23 g/mol
Exact Mass309.92
IUPAC Name6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole
SMILESBrc1ccc2nc(Cc3nccs3)sc2c1
InChIInChI=1S/C11H7BrN2S2/c12-7-1-2-8-9(5-7)16-11(14-8)6-10-13-3-4-15-10/h1-5H,6H2
InChIKeyPNPAOLMCJLHERO-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole (CID 158770073) is 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole is Brc1ccc2nc(Cc3nccs3)sc2c1.
What is the InChIKey of 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole?
The InChIKey is PNPAOLMCJLHERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2S2/c12-7-1-2-8-9(5-7)16-11(14-8)6-10-13-3-4-15-10/h1-5H,6H2.
What are the key properties of 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole?
6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole has a molecular weight of 311.23 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1,3-thiazol-2-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 158770073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).