ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate

C19H15NO4S — CID 46846512

IUPACethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(OC)c3oc4ccccc4c23)n1
InChIInChI=1S/C19H15NO4S/c1-3-23-19(21)13-10-25-18(20-13)12-8-9-15(22-2)17-16(12)11-6-4-5-7-14(11)24-17/h4-10H,3H2,1-2H3
InChIKeyKFAGBXGNTGGODA-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.89
Rot. Bonds4

About ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 46846512) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID46846512
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Nameethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(OC)c3oc4ccccc4c23)n1
InChIInChI=1S/C19H15NO4S/c1-3-23-19(21)13-10-25-18(20-13)12-8-9-15(22-2)17-16(12)11-6-4-5-7-14(11)24-17/h4-10H,3H2,1-2H3
InChIKeyKFAGBXGNTGGODA-UHFFFAOYSA-N
XLogP4.89
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate (CID 46846512) is ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(OC)c3oc4ccccc4c23)n1.
What is the InChIKey of ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is KFAGBXGNTGGODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-3-23-19(21)13-10-25-18(20-13)12-8-9-15(22-2)17-16(12)11-6-4-5-7-14(11)24-17/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46846512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).