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

C19H15NO3S2 — CID 66644957

IUPACethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4o3)s2)nc1C
InChIInChI=1S/C19H15NO3S2/c1-3-22-19(21)17-11(2)20-18(25-17)16-9-8-15(24-16)14-10-12-6-4-5-7-13(12)23-14/h4-10H,3H2,1-2H3
InChIKeySWJYHVZLWARRLB-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.77
Rot. Bonds4

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

ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 66644957) has the molecular formula C19H15NO3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID66644957
Molecular FormulaC19H15NO3S2
Molecular Weight369.47 g/mol
Exact Mass369.05
IUPAC Nameethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4o3)s2)nc1C
InChIInChI=1S/C19H15NO3S2/c1-3-22-19(21)17-11(2)20-18(25-17)16-9-8-15(24-16)14-10-12-6-4-5-7-13(12)23-14/h4-10H,3H2,1-2H3
InChIKeySWJYHVZLWARRLB-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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Related Compounds

ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644689
ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66645183
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
ethyl 2-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66645079
ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate
CID 66646802
2-(5-methylthiophen-2-yl)-1-benzofuran
CID 24744243
ethyl 2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116887456
ethyl 4-methyl-2-[[4-(2-oxochromen-3-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 39044279
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 2-(1-benzofuran-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate
CID 8718097

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 66644957) is ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4o3)s2)nc1C.
What is the InChIKey of ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is SWJYHVZLWARRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S2/c1-3-22-19(21)17-11(2)20-18(25-17)16-9-8-15(24-16)14-10-12-6-4-5-7-13(12)23-14/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[5-(1-benzofuran-2-yl)thiophen-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-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66644957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).