2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H10BrNOS — CID 105078985

IUPAC2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C12H10BrNOS/c1-8-14-11(7-16-8)12(15)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyHCGUKRRVGQGPFZ-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone

2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 105078985) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID105078985
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C12H10BrNOS/c1-8-14-11(7-16-8)12(15)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyHCGUKRRVGQGPFZ-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(4-bromophenyl)ethanone
CID 116585220
2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105092482
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
CID 58762168
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754722
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533251
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanenitrile
CID 82414227
1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one
CID 105093182
(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166910014

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 105078985) is 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(C(=O)Cc2ccc(Br)cc2)cs1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is HCGUKRRVGQGPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-14-11(7-16-8)12(15)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 296.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 105078985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).