4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C14H17BrN2OS — CID 54864269

IUPAC4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCOc1cc(Br)cc(C)c1NC(C)c1scnc1C
InChIInChI=1S/C14H17BrN2OS/c1-8-5-11(15)6-12(18-4)13(8)17-10(3)14-9(2)16-7-19-14/h5-7,10,17H,1-4H3
InChIKeyOUFPOIUCJYCLBR-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.70
Rot. Bonds4

About 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 54864269) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID54864269
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCOc1cc(Br)cc(C)c1NC(C)c1scnc1C
InChIInChI=1S/C14H17BrN2OS/c1-8-5-11(15)6-12(18-4)13(8)17-10(3)14-9(2)16-7-19-14/h5-7,10,17H,1-4H3
InChIKeyOUFPOIUCJYCLBR-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 54864269) is 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is COc1cc(Br)cc(C)c1NC(C)c1scnc1C.
What is the InChIKey of 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is OUFPOIUCJYCLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-8-5-11(15)6-12(18-4)13(8)17-10(3)14-9(2)16-7-19-14/h5-7,10,17H,1-4H3.
What are the key properties of 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 341.27 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 54864269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).