N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C12H15BrN2S — CID 81289779

IUPACN-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cc(Br)ccc1NC1=NCC(C)S1
InChIInChI=1S/C12H15BrN2S/c1-3-9-6-10(13)4-5-11(9)15-12-14-7-8(2)16-12/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyFFVXDRQRQQAEQL-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.91
Rot. Bonds2

About N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 81289779) has the molecular formula C12H15BrN2S and a molecular weight of 299.24 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID81289779
Molecular FormulaC12H15BrN2S
Molecular Weight299.24 g/mol
Exact Mass298.01
IUPAC NameN-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cc(Br)ccc1NC1=NCC(C)S1
InChIInChI=1S/C12H15BrN2S/c1-3-9-6-10(13)4-5-11(9)15-12-14-7-8(2)16-12/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyFFVXDRQRQQAEQL-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-ethylphenyl)-5-methyl-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-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 22295019
N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81289616
N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 81288365
N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 81289937
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107791746
3-bromo-4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107791793
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499430
4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 81287998
4-bromo-N-(2,2-dimethylcyclopentyl)-2-ethylaniline
CID 81292278

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 81289779) is N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCc1cc(Br)ccc1NC1=NCC(C)S1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FFVXDRQRQQAEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S/c1-3-9-6-10(13)4-5-11(9)15-12-14-7-8(2)16-12/h4-6,8H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 299.24 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 81289779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).