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

C10H9BrN2S — CID 84808579

IUPAC2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine
SMILESCc1ccc(-c2nc(Br)sc2N)cc1
InChIInChI=1S/C10H9BrN2S/c1-6-2-4-7(5-3-6)8-9(12)14-10(11)13-8/h2-5H,12H2,1H3
InChIKeyIQKIPMQTZWPDKT-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.46
Rot. Bonds1

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

2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine (PubChem CID 84808579) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine
PubChem CID84808579
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine
SMILESCc1ccc(-c2nc(Br)sc2N)cc1
InChIInChI=1S/C10H9BrN2S/c1-6-2-4-7(5-3-6)8-9(12)14-10(11)13-8/h2-5H,12H2,1H3
InChIKeyIQKIPMQTZWPDKT-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4-methylphenyl)pyrimidin-2-amine
CID 134854467
2-methyl-4-(4-phenylphenyl)-1,3-thiazol-5-amine
CID 62082548
N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 82342260
4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-amine
CID 15123518
4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
CID 82342174
2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-5-amine
CID 82485697
4-(4-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 11184721
2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine
CID 62076851
3,6-dibromo-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 165178013
4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2806464
1-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82542174
1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63524041

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine (CID 84808579) is 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine is Cc1ccc(-c2nc(Br)sc2N)cc1.
What is the InChIKey of 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine?
The InChIKey is IQKIPMQTZWPDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c1-6-2-4-7(5-3-6)8-9(12)14-10(11)13-8/h2-5H,12H2,1H3.
What are the key properties of 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine?
2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine has a molecular weight of 269.17 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 84808579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).