2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol

C11H11N3O3S — CID 102770772

IUPAC2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol
SMILESO=[N+]([O-])c1cnc(NC(CO)c2ccccc2)s1
InChIInChI=1S/C11H11N3O3S/c15-7-9(8-4-2-1-3-5-8)13-11-12-6-10(18-11)14(16)17/h1-6,9,15H,7H2,(H,12,13)
InChIKeyGPJZUPRVECJWLM-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.20
Rot. Bonds5

About 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol

2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol (PubChem CID 102770772) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol
PubChem CID102770772
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol
SMILESO=[N+]([O-])c1cnc(NC(CO)c2ccccc2)s1
InChIInChI=1S/C11H11N3O3S/c15-7-9(8-4-2-1-3-5-8)13-11-12-6-10(18-11)14(16)17/h1-6,9,15H,7H2,(H,12,13)
InChIKeyGPJZUPRVECJWLM-UHFFFAOYSA-N
XLogP2.20
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol 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

N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
CID 4598640
2-(2-nitroanilino)-2-phenylethanol
CID 24950496
N-(2-hydroxy-1-phenylethyl)-5-nitrothiophene-2-carboxamide
CID 63182470
(2S)-2-[(4-amino-5-nitropyrimidin-2-yl)amino]-2-phenylethanol
CID 95346615
(2S)-4-methyl-2-[(5-nitro-1,3-thiazol-2-yl)amino]pentanoic acid
CID 120964548
(2R)-4-methyl-2-[(5-nitro-1,3-thiazol-2-yl)amino]pentanoic acid
CID 120964183
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2973288
N-[1-(4-aminophenyl)ethyl]-5-nitro-1,3-thiazol-2-amine
CID 102771504
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-nitro-1,3-thiazol-2-amine
CID 102770842
N-[(5-nitro-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 126601215
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol (CID 102770772) is 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol is O=[N+]([O-])c1cnc(NC(CO)c2ccccc2)s1.
What is the InChIKey of 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol?
The InChIKey is GPJZUPRVECJWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c15-7-9(8-4-2-1-3-5-8)13-11-12-6-10(18-11)14(16)17/h1-6,9,15H,7H2,(H,12,13).
What are the key properties of 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol?
2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol has a molecular weight of 265.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol is sourced from PubChem (CID 102770772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).