2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide

C17H15N3O4S — CID 55798951

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCc3ccccc3[N+](=O)[O-])cs2)o1
InChIInChI=1S/C17H15N3O4S/c1-11-6-7-15(24-11)17-19-13(10-25-17)8-16(21)18-9-12-4-2-3-5-14(12)20(22)23/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyYVQAZLJIXNOZMR-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.48
Rot. Bonds6

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

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide (PubChem CID 55798951) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
PubChem CID55798951
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCc3ccccc3[N+](=O)[O-])cs2)o1
InChIInChI=1S/C17H15N3O4S/c1-11-6-7-15(24-11)17-19-13(10-25-17)8-16(21)18-9-12-4-2-3-5-14(12)20(22)23/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyYVQAZLJIXNOZMR-UHFFFAOYSA-N
XLogP3.48
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.48
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'}

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Related Compounds

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
CID 78891113
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39518233
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55618608
2-[4-[[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698581
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46407903
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[(2R)-2-(ethylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120652026
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 46422498

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide (CID 55798951) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide is Cc1ccc(-c2nc(CC(=O)NCc3ccccc3[N+](=O)[O-])cs2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide?
The InChIKey is YVQAZLJIXNOZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11-6-7-15(24-11)17-19-13(10-25-17)8-16(21)18-9-12-4-2-3-5-14(12)20(22)23/h2-7,10H,8-9H2,1H3,(H,18,21).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide has a molecular weight of 357.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 55798951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).