5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

C20H14Cl2N2O3S — CID 1395435

IUPAC5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1
InChIInChI=1S/C20H14Cl2N2O3S/c1-2-26-11-6-7-14-17(10-11)28-20(23-14)24-19(25)16-9-8-15(27-16)12-4-3-5-13(21)18(12)22/h3-10H,2H2,1H3,(H,23,24,25)
InChIKeyQSMRKUNELKBTHK-UHFFFAOYSA-N
MW433.32 g/mol
LogP6.51
Rot. Bonds5

About 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 1395435) has the molecular formula C20H14Cl2N2O3S and a molecular weight of 433.32 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID1395435
Molecular FormulaC20H14Cl2N2O3S
Molecular Weight433.32 g/mol
Exact Mass432.01
IUPAC Name5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1
InChIInChI=1S/C20H14Cl2N2O3S/c1-2-26-11-6-7-14-17(10-11)28-20(23-14)24-19(25)16-9-8-15(27-16)12-4-3-5-13(21)18(12)22/h3-10H,2H2,1H3,(H,23,24,25)
InChIKeyQSMRKUNELKBTHK-UHFFFAOYSA-N
XLogP6.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.32
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide with MolForge

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35523457
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
3-(2-chlorophenyl)-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3320764
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19412762
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
4-(1,3-dioxoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2677097
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 1395435) is 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is QSMRKUNELKBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3S/c1-2-26-11-6-7-14-17(10-11)28-20(23-14)24-19(25)16-9-8-15(27-16)12-4-3-5-13(21)18(12)22/h3-10H,2H2,1H3,(H,23,24,25).
What are the key properties of 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 433.32 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 1395435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).