N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide

C9H7N3O4S — CID 10753

IUPACN-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1
InChIInChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)
InChIKeyGYRMPDLIHUXUIG-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.27
Rot. Bonds3

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

N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 10753) has the molecular formula C9H7N3O4S and a molecular weight of 253.24 g/mol. Its IUPAC name is N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID10753
Molecular FormulaC9H7N3O4S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC NameN-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1
InChIInChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)
InChIKeyGYRMPDLIHUXUIG-UHFFFAOYSA-N
XLogP2.27
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide
CID 121215868
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
CID 56615074
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 42378381
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2323203
5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 127049733
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
4-chloro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 9094660
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511972
4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
CID 23996777
2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
CID 138754238
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 35889870
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide (CID 10753) is N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1.
What is the InChIKey of N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GYRMPDLIHUXUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13).
What are the key properties of N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 253.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 10753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).