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

C14H11NO3S — CID 106510668

IUPACmethyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1coc2ccccc12
InChIInChI=1S/C14H11NO3S/c1-8-15-12(14(16)17-2)13(19-8)10-7-18-11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKeyZCZPVPUHUZRDCD-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.65
Rot. Bonds2

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

methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 106510668) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID106510668
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Namemethyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1coc2ccccc12
InChIInChI=1S/C14H11NO3S/c1-8-15-12(14(16)17-2)13(19-8)10-7-18-11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKeyZCZPVPUHUZRDCD-UHFFFAOYSA-N
XLogP3.65
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.65
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 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136
methyl 5-(1-benzothiophen-3-yl)-2-bromo-1,3-thiazole-4-carboxylate
CID 106510313
methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271288
2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887739
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 67018202
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271259
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-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate (CID 106510668) is methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1-c1coc2ccccc12.
What is the InChIKey of methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is ZCZPVPUHUZRDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-8-15-12(14(16)17-2)13(19-8)10-7-18-11-6-4-3-5-9(10)11/h3-7H,1-2H3.
What are the key properties of methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106510668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).