4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline

C14H11BrN2S — CID 10426074

IUPAC4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(Br)cc3s2)cc1
InChIInChI=1S/C14H11BrN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
InChIKeyLXLPEJYMUUWZGT-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.77
Rot. Bonds2

About 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline

4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline (PubChem CID 10426074) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline
PubChem CID10426074
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC Name4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(Br)cc3s2)cc1
InChIInChI=1S/C14H11BrN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
InChIKeyLXLPEJYMUUWZGT-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline?
The IUPAC name of 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline (CID 10426074) is 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline is CNc1ccc(-c2nc3ccc(Br)cc3s2)cc1.
What is the InChIKey of 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline?
The InChIKey is LXLPEJYMUUWZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3.
What are the key properties of 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline?
4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline has a molecular weight of 319.23 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline is sourced from PubChem (CID 10426074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).