1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide

C13H15Br2NOS — CID 173113848

IUPAC1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide
SMILESBr.CC1=C(C)N(CC(=O)c2ccc(Br)cc2)CS1
InChIInChI=1S/C13H14BrNOS.BrH/c1-9-10(2)17-8-15(9)7-13(16)11-3-5-12(14)6-4-11;/h3-6H,7-8H2,1-2H3;1H
InChIKeyZMONYUIXULKHFJ-UHFFFAOYSA-N
MW393.14 g/mol
LogP4.47
Rot. Bonds3

About 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide

1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide (PubChem CID 173113848) has the molecular formula C13H15Br2NOS and a molecular weight of 393.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide
PubChem CID173113848
Molecular FormulaC13H15Br2NOS
Molecular Weight393.14 g/mol
Exact Mass390.92
IUPAC Name1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide
SMILESBr.CC1=C(C)N(CC(=O)c2ccc(Br)cc2)CS1
InChIInChI=1S/C13H14BrNOS.BrH/c1-9-10(2)17-8-15(9)7-13(16)11-3-5-12(14)6-4-11;/h3-6H,7-8H2,1-2H3;1H
InChIKeyZMONYUIXULKHFJ-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.14
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide?
The IUPAC name of 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide (CID 173113848) is 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide is Br.CC1=C(C)N(CC(=O)c2ccc(Br)cc2)CS1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide?
The InChIKey is ZMONYUIXULKHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS.BrH/c1-9-10(2)17-8-15(9)7-13(16)11-3-5-12(14)6-4-11;/h3-6H,7-8H2,1-2H3;1H.
What are the key properties of 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide?
1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide has a molecular weight of 393.14 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide is sourced from PubChem (CID 173113848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).