5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide

C18H10ClFN2O2S — CID 9077612

IUPAC5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C18H10ClFN2O2S/c19-10-5-6-12(11(20)9-10)21-17(23)14-7-8-15(24-14)18-22-13-3-1-2-4-16(13)25-18/h1-9H,(H,21,23)
InChIKeyLGVXQMMCVDODTO-UHFFFAOYSA-N
MW372.81 g/mol
LogP5.60
Rot. Bonds3

About 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide (PubChem CID 9077612) has the molecular formula C18H10ClFN2O2S and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
PubChem CID9077612
Molecular FormulaC18H10ClFN2O2S
Molecular Weight372.81 g/mol
Exact Mass372.01
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C18H10ClFN2O2S/c19-10-5-6-12(11(20)9-10)21-17(23)14-7-8-15(24-14)18-22-13-3-1-2-4-16(13)25-18/h1-9H,(H,21,23)
InChIKeyLGVXQMMCVDODTO-UHFFFAOYSA-N
XLogP5.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.81
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9090076
N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 55531872
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5016796
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-nitrofuran-2-carboxamide
CID 19630916
5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
CID 46431780
5-(1,3-benzothiazol-2-yl)-N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide
CID 55550001
N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 60517836
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide
CID 46364001
5-(1,3-benzothiazol-2-yl)-N-(2-methyl-3-nitrophenyl)furan-2-carboxamide
CID 9083698

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide (CID 9077612) is 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide?
The InChIKey is LGVXQMMCVDODTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O2S/c19-10-5-6-12(11(20)9-10)21-17(23)14-7-8-15(24-14)18-22-13-3-1-2-4-16(13)25-18/h1-9H,(H,21,23).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 9077612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).