1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

C10H8BrNOS2 — CID 47302510

IUPAC1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2cc(Br)cs2)nc1C
InChIInChI=1S/C10H8BrNOS2/c1-5-9(6(2)13)15-10(12-5)8-3-7(11)4-14-8/h3-4H,1-2H3
InChIKeyVARTVHPJGKBTHI-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.15
Rot. Bonds2

About 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 47302510) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID47302510
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC Name1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2cc(Br)cs2)nc1C
InChIInChI=1S/C10H8BrNOS2/c1-5-9(6(2)13)15-10(12-5)8-3-7(11)4-14-8/h3-4H,1-2H3
InChIKeyVARTVHPJGKBTHI-UHFFFAOYSA-N
XLogP4.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116887456
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662294
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 116885499
2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole
CID 116888006
2-(4-bromothiophen-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359852
2-(4-bromothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360066
1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone
CID 66647115
[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 116885720
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102842168
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 47302510) is 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2cc(Br)cs2)nc1C.
What is the InChIKey of 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is VARTVHPJGKBTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c1-5-9(6(2)13)15-10(12-5)8-3-7(11)4-14-8/h3-4H,1-2H3.
What are the key properties of 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 302.22 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 47302510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).