N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

C20H14F2N2O3S — CID 44916333

IUPACN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCCOc1ccc2oc(-c3csc(NC(=O)c4c(F)cccc4F)n3)cc2c1
InChIInChI=1S/C20H14F2N2O3S/c1-2-26-12-6-7-16-11(8-12)9-17(27-16)15-10-28-20(23-15)24-19(25)18-13(21)4-3-5-14(18)22/h3-10H,2H2,1H3,(H,23,24,25)
InChIKeyAHGQPTVAIAMNNH-UHFFFAOYSA-N
MW400.41 g/mol
LogP5.49
Rot. Bonds5

About N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (PubChem CID 44916333) has the molecular formula C20H14F2N2O3S and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
PubChem CID44916333
Molecular FormulaC20H14F2N2O3S
Molecular Weight400.41 g/mol
Exact Mass400.07
IUPAC NameN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCCOc1ccc2oc(-c3csc(NC(=O)c4c(F)cccc4F)n3)cc2c1
InChIInChI=1S/C20H14F2N2O3S/c1-2-26-12-6-7-16-11(8-12)9-17(27-16)15-10-28-20(23-15)24-19(25)18-13(21)4-3-5-14(18)22/h3-10H,2H2,1H3,(H,23,24,25)
InChIKeyAHGQPTVAIAMNNH-UHFFFAOYSA-N
XLogP5.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.41
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 44916281
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1,3-benzoxazole-2-carboxamide
CID 44916427
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916334
4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916270
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-benzothiazole-6-carboxamide
CID 44916350
(E)-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 44916274
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 44916393
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916302
2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916137
4-ethylsulfanyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916198
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (CID 44916333) is N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is CCOc1ccc2oc(-c3csc(NC(=O)c4c(F)cccc4F)n3)cc2c1.
What is the InChIKey of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The InChIKey is AHGQPTVAIAMNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O3S/c1-2-26-12-6-7-16-11(8-12)9-17(27-16)15-10-28-20(23-15)24-19(25)18-13(21)4-3-5-14(18)22/h3-10H,2H2,1H3,(H,23,24,25).
What are the key properties of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide has a molecular weight of 400.41 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 44916333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).