2-ethyl-5-(4-nitrophenyl)-1,3-thiazole

C11H10N2O2S — CID 58780787

IUPAC2-ethyl-5-(4-nitrophenyl)-1,3-thiazole
SMILESCCc1ncc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C11H10N2O2S/c1-2-11-12-7-10(16-11)8-3-5-9(6-4-8)13(14)15/h3-7H,2H2,1H3
InChIKeySWIHGJWPCMOZBJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.28
Rot. Bonds3

About 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole

2-ethyl-5-(4-nitrophenyl)-1,3-thiazole (PubChem CID 58780787) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-(4-nitrophenyl)-1,3-thiazole
PubChem CID58780787
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-ethyl-5-(4-nitrophenyl)-1,3-thiazole
SMILESCCc1ncc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C11H10N2O2S/c1-2-11-12-7-10(16-11)8-3-5-9(6-4-8)13(14)15/h3-7H,2H2,1H3
InChIKeySWIHGJWPCMOZBJ-UHFFFAOYSA-N
XLogP3.28
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole 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

2,3,3-trimethyl-4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid
CID 174686257
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 54883135
2-ethyl-5-pyridin-4-yl-1,3-thiazole
CID 89469223
N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide
CID 13443927
2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole
CID 21100331
2-ethyl-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 96997209
5-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 13443925
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-nitroaniline
CID 54883766
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 103701893
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133326094
2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209390
N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide
CID 66614022

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole?
The IUPAC name of 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole (CID 58780787) is 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole is CCc1ncc(-c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole?
The InChIKey is SWIHGJWPCMOZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-11-12-7-10(16-11)8-3-5-9(6-4-8)13(14)15/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole?
2-ethyl-5-(4-nitrophenyl)-1,3-thiazole has a molecular weight of 234.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-nitrophenyl)-1,3-thiazole is sourced from PubChem (CID 58780787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).