4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole

C14H16BrNS — CID 79418691

IUPAC4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CC(CBr)c2ccccc2C)cs1
InChIInChI=1S/C14H16BrNS/c1-10-5-3-4-6-14(10)12(8-15)7-13-9-17-11(2)16-13/h3-6,9,12H,7-8H2,1-2H3
InChIKeyIWVRINDBXQMUEK-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.48
Rot. Bonds4

About 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole

4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole (PubChem CID 79418691) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole
PubChem CID79418691
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CC(CBr)c2ccccc2C)cs1
InChIInChI=1S/C14H16BrNS/c1-10-5-3-4-6-14(10)12(8-15)7-13-9-17-11(2)16-13/h3-6,9,12H,7-8H2,1-2H3
InChIKeyIWVRINDBXQMUEK-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79420680
2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 79421180
4-[3-bromo-2-(3-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79430289
1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449
4-[3-bromo-2-(2-methylphenyl)propyl]-1-methyltriazole
CID 107058173
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-[3-bromo-2-(2-methylphenyl)propyl]-3,5-dimethylbenzene
CID 79418694
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
N-[(2-methylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70766840
1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene
CID 79418529

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole (CID 79418691) is 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole is Cc1nc(CC(CBr)c2ccccc2C)cs1.
What is the InChIKey of 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole?
The InChIKey is IWVRINDBXQMUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-5-3-4-6-14(10)12(8-15)7-13-9-17-11(2)16-13/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole?
4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole has a molecular weight of 310.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 79418691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).