4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol

C13H12N4O3S — CID 43792201

IUPAC4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol
SMILESCc1nc2sccn2c1CNc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3S/c1-8-12(16-4-5-21-13(16)15-8)7-14-10-3-2-9(18)6-11(10)17(19)20/h2-6,14,18H,7H2,1H3
InChIKeyYVZJIDIYRYNJII-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.93
Rot. Bonds4

About 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol

4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol (PubChem CID 43792201) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol.

Molecular Properties

Compound Name4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol
PubChem CID43792201
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol
SMILESCc1nc2sccn2c1CNc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3S/c1-8-12(16-4-5-21-13(16)15-8)7-14-10-3-2-9(18)6-11(10)17(19)20/h2-6,14,18H,7H2,1H3
InChIKeyYVZJIDIYRYNJII-UHFFFAOYSA-N
XLogP2.93
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol 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-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-nitroaniline
CID 43785855
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-nitroaniline
CID 43785802
4-bromo-2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43774905
4-chloro-2-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107632054
1,3-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrazol-4-amine
CID 104954480
2-[2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]phenyl]acetamide
CID 43789624
2-(methoxymethyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43779784
2-chloro-5-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107527401
1,3,5-trimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrazol-4-amine
CID 43768823
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278
2,3,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 62810852
4-bromo-2,6-difluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467947

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol?
The IUPAC name of 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol (CID 43792201) is 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol.
What is the SMILES notation for 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol?
The canonical SMILES for 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol is Cc1nc2sccn2c1CNc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol?
The InChIKey is YVZJIDIYRYNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-8-12(16-4-5-21-13(16)15-8)7-14-10-3-2-9(18)6-11(10)17(19)20/h2-6,14,18H,7H2,1H3.
What are the key properties of 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol?
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol has a molecular weight of 304.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol is sourced from PubChem (CID 43792201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).