4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

C13H15BrN2S — CID 103582106

IUPAC4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1cc(NC(C)c2cncs2)cc(C)c1Br
InChIInChI=1S/C13H15BrN2S/c1-8-4-11(5-9(2)13(8)14)16-10(3)12-6-15-7-17-12/h4-7,10,16H,1-3H3
InChIKeyKNUVFQCEXGKHOQ-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.70
Rot. Bonds3

About 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 103582106) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
PubChem CID103582106
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1cc(NC(C)c2cncs2)cc(C)c1Br
InChIInChI=1S/C13H15BrN2S/c1-8-4-11(5-9(2)13(8)14)16-10(3)12-6-15-7-17-12/h4-7,10,16H,1-3H3
InChIKeyKNUVFQCEXGKHOQ-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
3-bromo-N-[1-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107335996
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452
2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115917264
4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 115916628
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648389
3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916459
1,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-3-amine
CID 115922073
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
4-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylaniline
CID 107571938
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917439

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (CID 103582106) is 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is Cc1cc(NC(C)c2cncs2)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is KNUVFQCEXGKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-4-11(5-9(2)13(8)14)16-10(3)12-6-15-7-17-12/h4-7,10,16H,1-3H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 311.25 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 103582106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).