2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide

C12H13BrN2O2S — CID 44789313

IUPAC2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\sccn1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H12N2O2S.BrH/c1-16-10-4-2-9(3-5-10)11(15)8-14-6-7-17-12(14)13;/h2-7,13H,8H2,1H3;1H/b13-12-;
InChIKeyLWBXILZGJGRHBS-USGGBSEESA-N
MW329.22 g/mol
LogP2.50
Rot. Bonds4

About 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide

2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide (PubChem CID 44789313) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
PubChem CID44789313
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\sccn1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H12N2O2S.BrH/c1-16-10-4-2-9(3-5-10)11(15)8-14-6-7-17-12(14)13;/h2-7,13H,8H2,1H3;1H/b13-12-;
InChIKeyLWBXILZGJGRHBS-USGGBSEESA-N
XLogP2.50
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid
CID 91481035
2-(5-bromo-2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methoxyphenyl)ethanone
CID 1493620
1-(4-ethoxy-3-nitrophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
CID 5060443
2-[5-(ethoxymethyl)-4-imino-2-methylpyrimidin-1-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 17386099
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312406
2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 17369955
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 3568385
2-[5-(2-chlorophenyl)-2-imino-1,3,4-thiadiazol-3-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 17037441
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 62963387
2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 173113547
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide (CID 44789313) is 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide is Br.[H]/N=c1\sccn1CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The InChIKey is LWBXILZGJGRHBS-USGGBSEESA-N. The full InChI is InChI=1S/C12H12N2O2S.BrH/c1-16-10-4-2-9(3-5-10)11(15)8-14-6-7-17-12(14)13;/h2-7,13H,8H2,1H3;1H/b13-12-;.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide has a molecular weight of 329.22 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide is sourced from PubChem (CID 44789313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).