N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C13H12N4O3S — CID 34004832

IUPACN-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOCc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1
InChIInChI=1S/C13H12N4O3S/c1-20-8-9-3-2-4-10(7-9)14-11-12(17(18)19)16-5-6-21-13(16)15-11/h2-7,14H,8H2,1H3
InChIKeyVJDMQMAVXUZHJM-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.19
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 34004832) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID34004832
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOCc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1
InChIInChI=1S/C13H12N4O3S/c1-20-8-9-3-2-4-10(7-9)14-11-12(17(18)19)16-5-6-21-13(16)15-11/h2-7,14H,8H2,1H3
InChIKeyVJDMQMAVXUZHJM-UHFFFAOYSA-N
XLogP3.19
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
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 N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine 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-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780634
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
CID 43471134
N-(2,3-dihydro-1H-inden-5-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780454
1-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]phenyl]-1,3-diazinan-2-one
CID 133325017
N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide
CID 18095326
N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095042
1-N-benzyl-1-N-methyl-2-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,2-diamine
CID 133435883
N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677982
5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
CID 81084007
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
1-N-[3-(methoxymethyl)phenyl]-4-nitrobenzene-1,2-diamine
CID 62506472

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 34004832) is N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is COCc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is VJDMQMAVXUZHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-20-8-9-3-2-4-10(7-9)14-11-12(17(18)19)16-5-6-21-13(16)15-11/h2-7,14H,8H2,1H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 304.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 34004832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).