N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

C16H9N3O6S — CID 24818137

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H9N3O6S/c20-15(11-5-6-12(25-11)19(21)22)18-16-17-13(9-3-1-7-23-9)14(26-16)10-4-2-8-24-10/h1-8H,(H,17,18,20)
InChIKeyRZUUEUWBDJEVMC-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.42
Rot. Bonds5

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 24818137) has the molecular formula C16H9N3O6S and a molecular weight of 371.33 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID24818137
Molecular FormulaC16H9N3O6S
Molecular Weight371.33 g/mol
Exact Mass371.02
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H9N3O6S/c20-15(11-5-6-12(25-11)19(21)22)18-16-17-13(9-3-1-7-23-9)14(26-16)10-4-2-8-24-10/h1-8H,(H,17,18,20)
InChIKeyRZUUEUWBDJEVMC-UHFFFAOYSA-N
XLogP4.42
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Bis(furan-2-yl)-1,3-thiazol-2-amine
CID 2428993
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2115891
N-[bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 2385998
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 7998972
N-[4,5-bis(2-furyl)thiazol-2-yl]-5-methyl-2-furamide
CID 25162210
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-phenylsulfanylbutanamide
CID 2115313
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]benzamide
CID 8781162
benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 2422218
5-(furan-2-yl)-N-(4-(4-nitrothiophen-2-yl)thiazol-2-yl)isoxazole-3-carboxamide
CID 45503797
2-(3,5-dimethylisoxazol-4-yl)-N-(4-(furan-2-yl)thiazol-2-yl)acetamide
CID 49712350
N-(6,7-dihydro-4H-pyrano[4,3-d]thiazol-2-yl)-5-(furan-2-yl)isoxazole-3-carboxamide
CID 71794716
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(3-fluorophenoxy)acetamide
CID 17537858

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 24818137) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is RZUUEUWBDJEVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O6S/c20-15(11-5-6-12(25-11)19(21)22)18-16-17-13(9-3-1-7-23-9)14(26-16)10-4-2-8-24-10/h1-8H,(H,17,18,20).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 371.33 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 24818137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).