2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol

C13H12N4O3S — CID 43393095

IUPAC2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
SMILESO=[N+]([O-])c1c(NCC(O)c2ccccc2)nc2sccn12
InChIInChI=1S/C13H12N4O3S/c18-10(9-4-2-1-3-5-9)8-14-11-12(17(19)20)16-6-7-21-13(16)15-11/h1-7,10,14,18H,8H2
InChIKeySXYOAXOWMWBLID-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.45
Rot. Bonds5

About 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol

2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol (PubChem CID 43393095) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
PubChem CID43393095
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
SMILESO=[N+]([O-])c1c(NCC(O)c2ccccc2)nc2sccn12
InChIInChI=1S/C13H12N4O3S/c18-10(9-4-2-1-3-5-9)8-14-11-12(17(19)20)16-6-7-21-13(16)15-11/h1-7,10,14,18H,8H2
InChIKeySXYOAXOWMWBLID-UHFFFAOYSA-N
XLogP2.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-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

1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol
CID 133308109
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol
CID 63201214
3-methoxy-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 103153798
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide
CID 133367582
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967565

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol (CID 43393095) is 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol is O=[N+]([O-])c1c(NCC(O)c2ccccc2)nc2sccn12.
What is the InChIKey of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol?
The InChIKey is SXYOAXOWMWBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c18-10(9-4-2-1-3-5-9)8-14-11-12(17(19)20)16-6-7-21-13(16)15-11/h1-7,10,14,18H,8H2.
What are the key properties of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol?
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol has a molecular weight of 304.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol is sourced from PubChem (CID 43393095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).