4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide

C21H15N3O3S — CID 44916270

IUPAC4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc2oc(-c3csc(NC(=O)c4ccc(C#N)cc4)n3)cc2c1
InChIInChI=1S/C21H15N3O3S/c1-2-26-16-7-8-18-15(9-16)10-19(27-18)17-12-28-21(23-17)24-20(25)14-5-3-13(11-22)4-6-14/h3-10,12H,2H2,1H3,(H,23,24,25)
InChIKeyYAXGGMMTSKKXFO-UHFFFAOYSA-N
MW389.44 g/mol
LogP5.08
Rot. Bonds5

About 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide

4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 44916270) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID44916270
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC Name4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc2oc(-c3csc(NC(=O)c4ccc(C#N)cc4)n3)cc2c1
InChIInChI=1S/C21H15N3O3S/c1-2-26-16-7-8-18-15(9-16)10-19(27-18)17-12-28-21(23-17)24-20(25)14-5-3-13(11-22)4-6-14/h3-10,12H,2H2,1H3,(H,23,24,25)
InChIKeyYAXGGMMTSKKXFO-UHFFFAOYSA-N
XLogP5.08
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44916350
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 44916333
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916334
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 44916281
5-bromo-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 44916278
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1,3-benzoxazole-2-carboxamide
CID 44916427
4-ethylsulfanyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916198
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 44916112
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916302
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide (CID 44916270) is 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide is CCOc1ccc2oc(-c3csc(NC(=O)c4ccc(C#N)cc4)n3)cc2c1.
What is the InChIKey of 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YAXGGMMTSKKXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-2-26-16-7-8-18-15(9-16)10-19(27-18)17-12-28-21(23-17)24-20(25)14-5-3-13(11-22)4-6-14/h3-10,12H,2H2,1H3,(H,23,24,25).
What are the key properties of 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?
4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 389.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 44916270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).