2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole

C14H16BrNS — CID 116970332

IUPAC2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1ccc(C(C)C)cc1-c1csc(CBr)n1
InChIInChI=1S/C14H16BrNS/c1-9(2)11-5-4-10(3)12(6-11)13-8-17-14(7-15)16-13/h4-6,8-9H,7H2,1-3H3
InChIKeyNJZQUNCGZIAOQF-UHFFFAOYSA-N
MW310.26 g/mol
LogP5.14
Rot. Bonds3

About 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole

2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 116970332) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
PubChem CID116970332
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1ccc(C(C)C)cc1-c1csc(CBr)n1
InChIInChI=1S/C14H16BrNS/c1-9(2)11-5-4-10(3)12(6-11)13-8-17-14(7-15)16-13/h4-6,8-9H,7H2,1-3H3
InChIKeyNJZQUNCGZIAOQF-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.26
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole 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

2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116867853
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867576
4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116892221
2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
CID 116970291
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116970317
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
CID 90322355
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole (CID 116970332) is 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole is Cc1ccc(C(C)C)cc1-c1csc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is NJZQUNCGZIAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-9(2)11-5-4-10(3)12(6-11)13-8-17-14(7-15)16-13/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 310.26 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 116970332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).