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

C15H21BrN2S — CID 107154643

IUPACN-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Br)c(NC2=NCC(CC(C)(C)C)S2)c1
InChIInChI=1S/C15H21BrN2S/c1-10-5-6-12(16)13(7-10)18-14-17-9-11(19-14)8-15(2,3)4/h5-7,11H,8-9H2,1-4H3,(H,17,18)
InChIKeyOSTXCZRTUGOZTO-UHFFFAOYSA-N
MW341.32 g/mol
LogP5.08
Rot. Bonds2

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

N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154643) has the molecular formula C15H21BrN2S and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154643
Molecular FormulaC15H21BrN2S
Molecular Weight341.32 g/mol
Exact Mass340.06
IUPAC NameN-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Br)c(NC2=NCC(CC(C)(C)C)S2)c1
InChIInChI=1S/C15H21BrN2S/c1-10-5-6-12(16)13(7-10)18-14-17-9-11(19-14)8-15(2,3)4/h5-7,11H,8-9H2,1-4H3,(H,17,18)
InChIKeyOSTXCZRTUGOZTO-UHFFFAOYSA-N
XLogP5.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154643) is N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(Br)c(NC2=NCC(CC(C)(C)C)S2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OSTXCZRTUGOZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2S/c1-10-5-6-12(16)13(7-10)18-14-17-9-11(19-14)8-15(2,3)4/h5-7,11H,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 341.32 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).