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

C14H17BrN2OS — CID 54884099

IUPAC4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline
SMILESCCc1ncc(CNc2c(C)cc(Br)cc2OC)s1
InChIInChI=1S/C14H17BrN2OS/c1-4-13-16-7-11(19-13)8-17-14-9(2)5-10(15)6-12(14)18-3/h5-7,17H,4,8H2,1-3H3
InChIKeyCPXURKGTMOIEJD-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.40
Rot. Bonds5

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

4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline (PubChem CID 54884099) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline
PubChem CID54884099
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline
SMILESCCc1ncc(CNc2c(C)cc(Br)cc2OC)s1
InChIInChI=1S/C14H17BrN2OS/c1-4-13-16-7-11(19-13)8-17-14-9(2)5-10(15)6-12(14)18-3/h5-7,17H,4,8H2,1-3H3
InChIKeyCPXURKGTMOIEJD-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline?
The IUPAC name of 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline (CID 54884099) is 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline.
What is the SMILES notation for 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline?
The canonical SMILES for 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline is CCc1ncc(CNc2c(C)cc(Br)cc2OC)s1.
What is the InChIKey of 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline?
The InChIKey is CPXURKGTMOIEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-4-13-16-7-11(19-13)8-17-14-9(2)5-10(15)6-12(14)18-3/h5-7,17H,4,8H2,1-3H3.
What are the key properties of 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline?
4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline has a molecular weight of 341.27 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline is sourced from PubChem (CID 54884099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).