2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C20H21N5O4S — CID 26526739

IUPAC2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CNc3cc([N+](=O)[O-])ccc3NCCO)c2)cs1
InChIInChI=1S/C20H21N5O4S/c1-13-23-19(12-30-13)14-3-2-4-15(9-14)24-20(27)11-22-18-10-16(25(28)29)5-6-17(18)21-7-8-26/h2-6,9-10,12,21-22,26H,7-8,11H2,1H3,(H,24,27)
InChIKeyGFWANARDTXHCNC-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.48
Rot. Bonds9

About 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 26526739) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID26526739
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CNc3cc([N+](=O)[O-])ccc3NCCO)c2)cs1
InChIInChI=1S/C20H21N5O4S/c1-13-23-19(12-30-13)14-3-2-4-15(9-14)24-20(27)11-22-18-10-16(25(28)29)5-6-17(18)21-7-8-26/h2-6,9-10,12,21-22,26H,7-8,11H2,1H3,(H,24,27)
InChIKeyGFWANARDTXHCNC-UHFFFAOYSA-N
XLogP3.48
TPSA129.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]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-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26507291
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55365291
4-methyl-3-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896979
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 9104529
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 31670165
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide
CID 30858602
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide
CID 30859161

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 26526739) is 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)CNc3cc([N+](=O)[O-])ccc3NCCO)c2)cs1.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is GFWANARDTXHCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-13-23-19(12-30-13)14-3-2-4-15(9-14)24-20(27)11-22-18-10-16(25(28)29)5-6-17(18)21-7-8-26/h2-6,9-10,12,21-22,26H,7-8,11H2,1H3,(H,24,27).
What are the key properties of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 427.49 g/mol, XLogP of 3.48, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 26526739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).