1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone

C14H15BrN2OS — CID 114068684

IUPAC1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2scnc2C)cc1Br
InChIInChI=1S/C14H15BrN2OS/c1-9-14(19-8-16-9)7-17(3)11-4-5-12(10(2)18)13(15)6-11/h4-6,8H,7H2,1-3H3
InChIKeyKZQODCKZJGXZTC-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone

1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone (PubChem CID 114068684) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone
PubChem CID114068684
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2scnc2C)cc1Br
InChIInChI=1S/C14H15BrN2OS/c1-9-14(19-8-16-9)7-17(3)11-4-5-12(10(2)18)13(15)6-11/h4-6,8H,7H2,1-3H3
InChIKeyKZQODCKZJGXZTC-UHFFFAOYSA-N
XLogP4.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-bromo-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]phenyl]ethanone
CID 114068655
2-bromo-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55261585
1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 114065834
[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol
CID 63837123
N,3-dimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837321
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 63842762
3-iodo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 113233630
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
2-[1-(ethylamino)ethyl]-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenol
CID 79591229
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
CID 114288707
5-amino-2-bromo-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843761

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone (CID 114068684) is 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone is CC(=O)c1ccc(N(C)Cc2scnc2C)cc1Br.
What is the InChIKey of 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone?
The InChIKey is KZQODCKZJGXZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-14(19-8-16-9)7-17(3)11-4-5-12(10(2)18)13(15)6-11/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone?
1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone has a molecular weight of 339.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone is sourced from PubChem (CID 114068684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).