methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate

C10H7Br2NO2S2 — CID 106510273

IUPACmethyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Br)sc1-c1cc(Br)c(C)s1
InChIInChI=1S/C10H7Br2NO2S2/c1-4-5(11)3-6(16-4)8-7(9(14)15-2)13-10(12)17-8/h3H,1-2H3
InChIKeyRRYQGMMXDMWGAM-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.49
Rot. Bonds2

About methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate

methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 106510273) has the molecular formula C10H7Br2NO2S2 and a molecular weight of 397.11 g/mol. Its IUPAC name is methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID106510273
Molecular FormulaC10H7Br2NO2S2
Molecular Weight397.11 g/mol
Exact Mass394.83
IUPAC Namemethyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Br)sc1-c1cc(Br)c(C)s1
InChIInChI=1S/C10H7Br2NO2S2/c1-4-5(11)3-6(16-4)8-7(9(14)15-2)13-10(12)17-8/h3H,1-2H3
InChIKeyRRYQGMMXDMWGAM-UHFFFAOYSA-N
XLogP4.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510698
methyl 3-(4-bromo-5-methylthiophen-2-yl)-1,1-dioxo-2H-1,2,6-thiadiazine-5-carboxylate
CID 135316362
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
ethyl 2-(4-bromo-5-methylthiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 102842068
methyl 2-(2,6-dibromo-4-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422975
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
methyl 5-(1-benzothiophen-3-yl)-2-bromo-1,3-thiazole-4-carboxylate
CID 106510313
methyl 5-(4-bromo-5-methylthiophen-2-yl)-2-methyl-1-oxo-1,2,6-thiadiazine-3-carboxylate
CID 142420037
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
methyl 2-bromo-5-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 106510283
methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106510294

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate (CID 106510273) is methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(Br)sc1-c1cc(Br)c(C)s1.
What is the InChIKey of methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is RRYQGMMXDMWGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO2S2/c1-4-5(11)3-6(16-4)8-7(9(14)15-2)13-10(12)17-8/h3H,1-2H3.
What are the key properties of methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 397.11 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106510273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).