2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide

C15H17N3O3S — CID 4166054

IUPAC2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-3-10(4-2)14(19)17-15-16-13(9-22-15)11-5-7-12(8-6-11)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyRGJRDLAHEPDYDU-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.09
Rot. Bonds6

About 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide

2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 4166054) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID4166054
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-3-10(4-2)14(19)17-15-16-13(9-22-15)11-5-7-12(8-6-11)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyRGJRDLAHEPDYDU-UHFFFAOYSA-N
XLogP4.09
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.09
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'}

Analyze 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide 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-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
butyl N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamate
CID 15916634
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
2,2,2-trifluoro-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 5130084
2-bromo-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856474
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
methyl 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 4169959
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 112771343
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 39072128
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide (CID 4166054) is 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide is CCC(CC)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is RGJRDLAHEPDYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-10(4-2)14(19)17-15-16-13(9-22-15)11-5-7-12(8-6-11)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,17,19).
What are the key properties of 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide?
2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 319.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 4166054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).