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

C9H5Br2NOS2 — CID 102843573

IUPAC1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C9H5Br2NOS2/c1-4(13)6-3-14-9(12-6)7-2-5(10)8(11)15-7/h2-3H,1H3
InChIKeyPVLGATLUWWZKBZ-UHFFFAOYSA-N
MW367.09 g/mol
LogP4.60
Rot. Bonds2

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

1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 102843573) has the molecular formula C9H5Br2NOS2 and a molecular weight of 367.09 g/mol. Its IUPAC name is 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID102843573
Molecular FormulaC9H5Br2NOS2
Molecular Weight367.09 g/mol
Exact Mass364.82
IUPAC Name1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C9H5Br2NOS2/c1-4(13)6-3-14-9(12-6)7-2-5(10)8(11)15-7/h2-3H,1H3
InChIKeyPVLGATLUWWZKBZ-UHFFFAOYSA-N
XLogP4.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.09
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone (CID 102843573) is 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is PVLGATLUWWZKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NOS2/c1-4(13)6-3-14-9(12-6)7-2-5(10)8(11)15-7/h2-3H,1H3.
What are the key properties of 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 367.09 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 102843573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).