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

C11H12BrNS — CID 102236722

IUPAC4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole
SMILESCC1(CBr)CSC(c2ccccc2)=N1
InChIInChI=1S/C11H12BrNS/c1-11(7-12)8-14-10(13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyCEBGVCPGIPEEHJ-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.33
Rot. Bonds2

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

4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole (PubChem CID 102236722) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole
PubChem CID102236722
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole
SMILESCC1(CBr)CSC(c2ccccc2)=N1
InChIInChI=1S/C11H12BrNS/c1-11(7-12)8-14-10(13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyCEBGVCPGIPEEHJ-UHFFFAOYSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.33
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-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole
CID 165499244
2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid
CID 23467909
ethyl (4S)-4-methyl-2-phenyl-5H-1,3-thiazole-4-carboxylate
CID 11831819
[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine
CID 97305172
(4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 139069527
2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole
CID 135250492
2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 69464501
2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole
CID 135250718
2-methyl-5-phenyl-2-propyl-3H-1,3,4-thiadiazole
CID 4084826
methyl (4R)-4-[(4-cyanophenyl)methyl]-2-phenyl-5H-1,3-thiazole-4-carboxylate
CID 11975542
4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene
CID 14908788
2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
CID 135250510

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole (CID 102236722) is 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole is CC1(CBr)CSC(c2ccccc2)=N1.
What is the InChIKey of 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole?
The InChIKey is CEBGVCPGIPEEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-11(7-12)8-14-10(13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole?
4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole has a molecular weight of 270.19 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole is sourced from PubChem (CID 102236722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).