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

C11H10BrNS — CID 130090867

IUPAC4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
SMILESCc1nc(CBr)c(-c2ccccc2)s1
InChIInChI=1S/C11H10BrNS/c1-8-13-10(7-12)11(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyGIIXOKVFDRVGNU-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.01
Rot. Bonds2

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

4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole (PubChem CID 130090867) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
PubChem CID130090867
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
SMILESCc1nc(CBr)c(-c2ccccc2)s1
InChIInChI=1S/C11H10BrNS/c1-8-13-10(7-12)11(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyGIIXOKVFDRVGNU-UHFFFAOYSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.01
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-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole
CID 67979674
4-bromo-2-methyl-5-phenyl-1,3-thiazole
CID 86189921
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
CID 142101432
2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
CID 15359783
[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82472240
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
(2-amino-5-phenyl-1,3-thiazol-4-yl)methanol
CID 133061184
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole (CID 130090867) is 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole is Cc1nc(CBr)c(-c2ccccc2)s1.
What is the InChIKey of 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole?
The InChIKey is GIIXOKVFDRVGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS/c1-8-13-10(7-12)11(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole?
4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole has a molecular weight of 268.18 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole is sourced from PubChem (CID 130090867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).