2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C11H8ClN3O3S — CID 2905580

IUPAC2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8ClN3O3S/c12-8-3-1-7(2-4-8)5-9(16)14-11-13-6-10(19-11)15(17)18/h1-4,6H,5H2,(H,13,14,16)
InChIKeySUDKDBNLSGILSB-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.89
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 2905580) has the molecular formula C11H8ClN3O3S and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID2905580
Molecular FormulaC11H8ClN3O3S
Molecular Weight297.72 g/mol
Exact Mass297.00
IUPAC Name2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8ClN3O3S/c12-8-3-1-7(2-4-8)5-9(16)14-11-13-6-10(19-11)15(17)18/h1-4,6H,5H2,(H,13,14,16)
InChIKeySUDKDBNLSGILSB-UHFFFAOYSA-N
XLogP2.89
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.89
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

N-(5-nitro-2-thiazolyl)benzamide
CID 47359
2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
(S)-4-Cmtb
CID 46226252
4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 2853283
2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1241668
1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 2462314
2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2904045
2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2939776
2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2963114
Benzamide, 3,4-dichloro-N-(5-nitro-2-thiazolyl)-
CID 112302
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2905052

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 2905580) is 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is SUDKDBNLSGILSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S/c12-8-3-1-7(2-4-8)5-9(16)14-11-13-6-10(19-11)15(17)18/h1-4,6H,5H2,(H,13,14,16).
What are the key properties of 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 297.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2905580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).