N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide

C18H15N3O3S — CID 37035145

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C18H15N3O3S/c22-17(11-14-8-4-5-9-16(14)21(23)24)20-18-19-12-15(25-18)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20,22)
InChIKeyIUAGOHHFNZDLJH-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.82
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide (PubChem CID 37035145) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide
PubChem CID37035145
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C18H15N3O3S/c22-17(11-14-8-4-5-9-16(14)21(23)24)20-18-19-12-15(25-18)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20,22)
InChIKeyIUAGOHHFNZDLJH-UHFFFAOYSA-N
XLogP3.82
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
N-(5-benzyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 723009
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9114221
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 24593939
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3376734
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 134384658

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide (CID 37035145) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide?
The InChIKey is IUAGOHHFNZDLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-17(11-14-8-4-5-9-16(14)21(23)24)20-18-19-12-15(25-18)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 37035145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).