N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide

C8H7N3O4S — CID 54512664

IUPACN-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide
SMILESO=CNC1SC=CN1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H7N3O4S/c12-5-9-8-10(3-4-16-8)6-1-2-7(15-6)11(13)14/h1-5,8H,(H,9,12)
InChIKeyYKFRPUNKUAEFSA-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.24
Rot. Bonds4

About N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide

N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide (PubChem CID 54512664) has the molecular formula C8H7N3O4S and a molecular weight of 241.23 g/mol. Its IUPAC name is N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide
PubChem CID54512664
Molecular FormulaC8H7N3O4S
Molecular Weight241.23 g/mol
Exact Mass241.02
IUPAC NameN-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide
SMILESO=CNC1SC=CN1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H7N3O4S/c12-5-9-8-10(3-4-16-8)6-1-2-7(15-6)11(13)14/h1-5,8H,(H,9,12)
InChIKeyYKFRPUNKUAEFSA-UHFFFAOYSA-N
XLogP1.24
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide (CID 54512664) is N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide is O=CNC1SC=CN1c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide?
The InChIKey is YKFRPUNKUAEFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S/c12-5-9-8-10(3-4-16-8)6-1-2-7(15-6)11(13)14/h1-5,8H,(H,9,12).
What are the key properties of N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide?
N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide has a molecular weight of 241.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-nitrofuran-2-yl)-2H-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 54512664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).