4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline

C10H9BrN2OS — CID 79399921

IUPAC4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline
SMILESCNc1ccc(Oc2nc(Br)cs2)cc1
InChIInChI=1S/C10H9BrN2OS/c1-12-7-2-4-8(5-3-7)14-10-13-9(11)6-15-10/h2-6,12H,1H3
InChIKeyANPRUYRCDPWSJJ-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.74
Rot. Bonds3

About 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline

4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline (PubChem CID 79399921) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline
PubChem CID79399921
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline
SMILESCNc1ccc(Oc2nc(Br)cs2)cc1
InChIInChI=1S/C10H9BrN2OS/c1-12-7-2-4-8(5-3-7)14-10-13-9(11)6-15-10/h2-6,12H,1H3
InChIKeyANPRUYRCDPWSJJ-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline?
The IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline (CID 79399921) is 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline.
What is the SMILES notation for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline?
The canonical SMILES for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline is CNc1ccc(Oc2nc(Br)cs2)cc1.
What is the InChIKey of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline?
The InChIKey is ANPRUYRCDPWSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-12-7-2-4-8(5-3-7)14-10-13-9(11)6-15-10/h2-6,12H,1H3.
What are the key properties of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline?
4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline has a molecular weight of 285.17 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline is sourced from PubChem (CID 79399921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).