ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C19H15NO3S2 — CID 66645183

IUPACethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4s3)o2)nc1C
InChIInChI=1S/C19H15NO3S2/c1-3-22-19(21)17-11(2)20-18(25-17)14-9-8-13(23-14)16-10-12-6-4-5-7-15(12)24-16/h4-10H,3H2,1-2H3
InChIKeyXLEREUXIXZZTPW-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.77
Rot. Bonds4

About ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 66645183) has the molecular formula C19H15NO3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID66645183
Molecular FormulaC19H15NO3S2
Molecular Weight369.47 g/mol
Exact Mass369.05
IUPAC Nameethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4s3)o2)nc1C
InChIInChI=1S/C19H15NO3S2/c1-3-22-19(21)17-11(2)20-18(25-17)14-9-8-13(23-14)16-10-12-6-4-5-7-15(12)24-16/h4-10H,3H2,1-2H3
InChIKeyXLEREUXIXZZTPW-UHFFFAOYSA-N
XLogP5.77
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 66645183) is ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4s3)o2)nc1C.
What is the InChIKey of ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XLEREUXIXZZTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S2/c1-3-22-19(21)17-11(2)20-18(25-17)14-9-8-13(23-14)16-10-12-6-4-5-7-15(12)24-16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66645183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).