N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C14H12N4O3S — CID 18095496

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCOc3ccccc32)nc2sccn12
InChIInChI=1S/C14H12N4O3S/c19-18(20)13-12(16-14-17(13)6-8-22-14)15-10-5-7-21-11-4-2-1-3-9(10)11/h1-4,6,8,10,15H,5,7H2
InChIKeyFSTVGBWZWNMDGV-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.24
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 18095496) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID18095496
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCOc3ccccc32)nc2sccn12
InChIInChI=1S/C14H12N4O3S/c19-18(20)13-12(16-14-17(13)6-8-22-14)15-10-5-7-21-11-4-2-1-3-9(10)11/h1-4,6,8,10,15H,5,7H2
InChIKeyFSTVGBWZWNMDGV-UHFFFAOYSA-N
XLogP3.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.24
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'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56800330
N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103889246
5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 113244170
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 61230649
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43786812
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 133439352
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N-(3-ethyl-2-methylcyclopentyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64923394
2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol
CID 133496348

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 18095496) is N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NC2CCOc3ccccc32)nc2sccn12.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is FSTVGBWZWNMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c19-18(20)13-12(16-14-17(13)6-8-22-14)15-10-5-7-21-11-4-2-1-3-9(10)11/h1-4,6,8,10,15H,5,7H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 316.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 18095496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).