N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine

C12H15BrN2S — CID 107637513

IUPACN-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cccc(Br)c2C)=N1
InChIInChI=1S/C12H15BrN2S/c1-3-9-7-16-12(14-9)15-11-6-4-5-10(13)8(11)2/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyZMEURRZSEPMJPC-UHFFFAOYSA-N
MW299.24 g/mol
LogP4.05
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine

N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107637513) has the molecular formula C12H15BrN2S and a molecular weight of 299.24 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107637513
Molecular FormulaC12H15BrN2S
Molecular Weight299.24 g/mol
Exact Mass298.01
IUPAC NameN-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cccc(Br)c2C)=N1
InChIInChI=1S/C12H15BrN2S/c1-3-9-7-16-12(14-9)15-11-6-4-5-10(13)8(11)2/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyZMEURRZSEPMJPC-UHFFFAOYSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine 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

N-(3-bromo-2-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114211112
N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637509
N-(3-bromo-2-methylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363835
4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79044170
4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43382066
N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495956
(4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135044591
N-(2,6-dichlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499811
N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107614106
N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637524
N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637514
(4S)-N-(2,3-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246681

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107637513) is N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2cccc(Br)c2C)=N1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZMEURRZSEPMJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S/c1-3-9-7-16-12(14-9)15-11-6-4-5-10(13)8(11)2/h4-6,9H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 299.24 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107637513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).