N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide

C17H10FN3O5S — CID 30707728

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
SMILESO=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccco1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H10FN3O5S/c18-10-3-4-12-14(8-10)27-17(19-12)20(9-11-2-1-7-25-11)16(22)13-5-6-15(26-13)21(23)24/h1-8H,9H2
InChIKeyDKIDFAYLJVMKLC-UHFFFAOYSA-N
MW387.35 g/mol
LogP4.38
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide (PubChem CID 30707728) has the molecular formula C17H10FN3O5S and a molecular weight of 387.35 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
PubChem CID30707728
Molecular FormulaC17H10FN3O5S
Molecular Weight387.35 g/mol
Exact Mass387.03
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
SMILESO=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccco1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H10FN3O5S/c18-10-3-4-12-14(8-10)27-17(19-12)20(9-11-2-1-7-25-11)16(22)13-5-6-15(26-13)21(23)24/h1-8H,9H2
InChIKeyDKIDFAYLJVMKLC-UHFFFAOYSA-N
XLogP4.38
TPSA102.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-5-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16938918
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 30707584
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitrofuran-2-carboxamide
CID 29138125
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362982
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 7615794
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 30707861
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide
CID 30708073
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 30712721
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide
CID 7543519
4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949188
4-[cyclohexyl(methyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949186
N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 7511177

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide (CID 30707728) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide is O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccco1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide?
The InChIKey is DKIDFAYLJVMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O5S/c18-10-3-4-12-14(8-10)27-17(19-12)20(9-11-2-1-7-25-11)16(22)13-5-6-15(26-13)21(23)24/h1-8H,9H2.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide has a molecular weight of 387.35 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 30707728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).