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

C13H9NO3S — CID 80572975

IUPACmethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cc3ccccc3o2)s1
InChIInChI=1S/C13H9NO3S/c1-16-13(15)11-7-14-12(18-11)10-6-8-4-2-3-5-9(8)17-10/h2-7H,1H3
InChIKeyACOSYVCLAKXCNS-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.34
Rot. Bonds2

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

methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80572975) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID80572975
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Namemethyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cc3ccccc3o2)s1
InChIInChI=1S/C13H9NO3S/c1-16-13(15)11-7-14-12(18-11)10-6-8-4-2-3-5-9(8)17-10/h2-7H,1H3
InChIKeyACOSYVCLAKXCNS-UHFFFAOYSA-N
XLogP3.34
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 103199790
methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371184
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270
N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366260
5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 114734476
methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate
CID 133428900
N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
CID 11013568
methyl 4-chloro-2-(5-chloro-1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 114734205
methyl 4-furo[3,2-c]pyridin-2-ylbenzoate
CID 54351307
methyl 2-(4-bromo-3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 80574021
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate (CID 80572975) is methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2cc3ccccc3o2)s1.
What is the InChIKey of methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is ACOSYVCLAKXCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-16-13(15)11-7-14-12(18-11)10-6-8-4-2-3-5-9(8)17-10/h2-7H,1H3.
What are the key properties of methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 259.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).