(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone

C11H8BrNOS — CID 18405006

IUPAC(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1nccs1
InChIInChI=1S/C11H8BrNOS/c1-7-6-8(12)2-3-9(7)10(14)11-13-4-5-15-11/h2-6H,1H3
InChIKeyKTQBSHWLFGTZTA-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.45
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone

(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 18405006) has the molecular formula C11H8BrNOS and a molecular weight of 282.16 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID18405006
Molecular FormulaC11H8BrNOS
Molecular Weight282.16 g/mol
Exact Mass280.95
IUPAC Name(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1nccs1
InChIInChI=1S/C11H8BrNOS/c1-7-6-8(12)2-3-9(7)10(14)11-13-4-5-15-11/h2-6H,1H3
InChIKeyKTQBSHWLFGTZTA-UHFFFAOYSA-N
XLogP3.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083606
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797276
(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156986
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 65307966
2-(4-bromo-2-methylphenyl)-1,3-thiazole
CID 57201412
(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083607
4-bromo-2-methylbenzenecarbothioic S-acid
CID 87286158
(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone
CID 91655271
(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone (CID 18405006) is (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone is Cc1cc(Br)ccc1C(=O)c1nccs1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is KTQBSHWLFGTZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS/c1-7-6-8(12)2-3-9(7)10(14)11-13-4-5-15-11/h2-6H,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone?
(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 282.16 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 18405006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).