2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole

C8H5Br2NS2 — CID 122595311

IUPAC2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C8H5Br2NS2/c1-4-3-11-8(12-4)6-2-5(9)7(10)13-6/h2-3H,1H3
InChIKeyXICOSRWEQBOJOJ-UHFFFAOYSA-N
MW339.08 g/mol
LogP4.71
Rot. Bonds1

About 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole

2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole (PubChem CID 122595311) has the molecular formula C8H5Br2NS2 and a molecular weight of 339.08 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole
PubChem CID122595311
Molecular FormulaC8H5Br2NS2
Molecular Weight339.08 g/mol
Exact Mass336.82
IUPAC Name2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C8H5Br2NS2/c1-4-3-11-8(12-4)6-2-5(9)7(10)13-6/h2-3H,1H3
InChIKeyXICOSRWEQBOJOJ-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.08
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole (CID 122595311) is 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole is Cc1cnc(-c2cc(Br)c(Br)s2)s1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole?
The InChIKey is XICOSRWEQBOJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NS2/c1-4-3-11-8(12-4)6-2-5(9)7(10)13-6/h2-3H,1H3.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole?
2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole has a molecular weight of 339.08 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 122595311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).