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

C12H10N4O2S — CID 16780634

IUPACN-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O2S/c1-8-3-2-4-9(7-8)13-10-11(16(17)18)15-5-6-19-12(15)14-10/h2-7,13H,1H3
InChIKeyPNGVBCBWWPJJLF-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.36
Rot. Bonds3

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

N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16780634) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16780634
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC NameN-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O2S/c1-8-3-2-4-9(7-8)13-10-11(16(17)18)15-5-6-19-12(15)14-10/h2-7,13H,1H3
InChIKeyPNGVBCBWWPJJLF-UHFFFAOYSA-N
XLogP3.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
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'}

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Related Compounds

5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 34004832
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-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967724
N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095042
N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677982
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N-[1-(4-bromophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677788

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 16780634) is N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is Cc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1.
What is the InChIKey of N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is PNGVBCBWWPJJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-8-3-2-4-9(7-8)13-10-11(16(17)18)15-5-6-19-12(15)14-10/h2-7,13H,1H3.
What are the key properties of N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 274.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16780634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).