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

C15H19BrN2OS — CID 63752631

IUPAC4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NC(C)c1sc(C)nc1C
InChIInChI=1S/C15H19BrN2OS/c1-8-6-12(16)7-13(19-5)14(8)18-10(3)15-9(2)17-11(4)20-15/h6-7,10,18H,1-5H3
InChIKeyMMRXLLZTLUBOJF-UHFFFAOYSA-N
MW355.30 g/mol
LogP5.01
Rot. Bonds4

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

4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline (PubChem CID 63752631) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
PubChem CID63752631
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NC(C)c1sc(C)nc1C
InChIInChI=1S/C15H19BrN2OS/c1-8-6-12(16)7-13(19-5)14(8)18-10(3)15-9(2)17-11(4)20-15/h6-7,10,18H,1-5H3
InChIKeyMMRXLLZTLUBOJF-UHFFFAOYSA-N
XLogP5.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethoxy)aniline
CID 103193014
4-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 103193121
4-bromo-2-methoxy-6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54864127
4-bromo-2-methoxy-6-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 54864269
4-bromo-2-methoxy-6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 54864305
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methoxy-4-methylaniline
CID 54865672
2-methoxy-4-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 54865731
2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 54865777
4-bromo-2-methoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868528
4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-6-methylaniline
CID 54884099
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 55149651
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline
CID 55242914

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline?
The IUPAC name of 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline (CID 63752631) is 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline is COc1cc(Br)cc(C)c1NC(C)c1sc(C)nc1C.
What is the InChIKey of 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline?
The InChIKey is MMRXLLZTLUBOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-8-6-12(16)7-13(19-5)14(8)18-10(3)15-9(2)17-11(4)20-15/h6-7,10,18H,1-5H3.
What are the key properties of 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline?
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline has a molecular weight of 355.30 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline is sourced from PubChem (CID 63752631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).