bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone

C19H10Br2N2OS2 — CID 150749355

IUPACbis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2ccc(Br)cc2)s1)c1cnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C19H10Br2N2OS2/c20-13-5-1-11(2-6-13)18-22-9-15(25-18)17(24)16-10-23-19(26-16)12-3-7-14(21)8-4-12/h1-10H
InChIKeyJVNKXVOLOURKEG-UHFFFAOYSA-N
MW506.24 g/mol
LogP6.69
Rot. Bonds4

About bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone

bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone (PubChem CID 150749355) has the molecular formula C19H10Br2N2OS2 and a molecular weight of 506.24 g/mol. Its IUPAC name is bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namebis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone
PubChem CID150749355
Molecular FormulaC19H10Br2N2OS2
Molecular Weight506.24 g/mol
Exact Mass503.86
IUPAC Namebis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2ccc(Br)cc2)s1)c1cnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C19H10Br2N2OS2/c20-13-5-1-11(2-6-13)18-22-9-15(25-18)17(24)16-10-23-19(26-16)12-3-7-14(21)8-4-12/h1-10H
InChIKeyJVNKXVOLOURKEG-UHFFFAOYSA-N
XLogP6.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.24
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide
CID 167727665
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]ethanol
CID 62652128
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 71913322
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 43333581
3-[[2-(4-bromophenyl)-1,3-thiazol-5-yl]methyl-methylamino]propanoic acid
CID 122037367
1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 115568074
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
2-(4-bromophenyl)-5-(5-methylthiophen-2-yl)-1,3-thiazole
CID 14424310
4-[[2-(4-bromophenyl)-1,3-thiazol-5-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509681
2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 141096444
methyl 2-(4-bromo-3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 80574021

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone (CID 150749355) is bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(-c2ccc(Br)cc2)s1)c1cnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is JVNKXVOLOURKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Br2N2OS2/c20-13-5-1-11(2-6-13)18-22-9-15(25-18)17(24)16-10-23-19(26-16)12-3-7-14(21)8-4-12/h1-10H.
What are the key properties of bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone?
bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 506.24 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-bromophenyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 150749355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).