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

C10H8BrNOS2 — CID 105092482

IUPAC2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2cc(Br)cs2)cs1
InChIInChI=1S/C10H8BrNOS2/c1-6-12-9(5-14-6)10(13)3-8-2-7(11)4-15-8/h2,4-5H,3H2,1H3
InChIKeyJMCBUDPRDOMAMK-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.70
Rot. Bonds3

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

2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 105092482) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID105092482
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2cc(Br)cs2)cs1
InChIInChI=1S/C10H8BrNOS2/c1-6-12-9(5-14-6)10(13)3-8-2-7(11)4-15-8/h2,4-5H,3H2,1H3
InChIKeyJMCBUDPRDOMAMK-UHFFFAOYSA-N
XLogP3.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-bromothiophen-2-yl)ethanone
CID 116585831
2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105078985
2-(4-bromothiophen-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105092525
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877646
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105092387
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
3-[2-(4-bromothiophen-2-yl)acetyl]-4-hydroxy-6-methylpyran-2-one
CID 59938246
3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanenitrile
CID 82414227
2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969477
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 105092482) is 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(C(=O)Cc2cc(Br)cs2)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is JMCBUDPRDOMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c1-6-12-9(5-14-6)10(13)3-8-2-7(11)4-15-8/h2,4-5H,3H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 302.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 105092482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).