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

C10H8BrNO2S2 — CID 106510688

IUPACmethyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1sccc1Br
InChIInChI=1S/C10H8BrNO2S2/c1-5-12-7(10(13)14-2)9(16-5)8-6(11)3-4-15-8/h3-4H,1-2H3
InChIKeyUUHXFWTZZIZGOR-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.73
Rot. Bonds2

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

methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 106510688) has the molecular formula C10H8BrNO2S2 and a molecular weight of 318.22 g/mol. Its IUPAC name is methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID106510688
Molecular FormulaC10H8BrNO2S2
Molecular Weight318.22 g/mol
Exact Mass316.92
IUPAC Namemethyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1sccc1Br
InChIInChI=1S/C10H8BrNO2S2/c1-5-12-7(10(13)14-2)9(16-5)8-6(11)3-4-15-8/h3-4H,1-2H3
InChIKeyUUHXFWTZZIZGOR-UHFFFAOYSA-N
XLogP3.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen
CID 167618862
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 67018202
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271288
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510668
methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 106510273
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
(2-bromophenyl) 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 43854679
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 162157166

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate (CID 106510688) is methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1-c1sccc1Br.
What is the InChIKey of methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is UUHXFWTZZIZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S2/c1-5-12-7(10(13)14-2)9(16-5)8-6(11)3-4-15-8/h3-4H,1-2H3.
What are the key properties of methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 318.22 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106510688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).