5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

C13H18N4O2S — CID 79361286

IUPAC5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1(C)C(CNc2nc3sccn3c2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C13H18N4O2S/c1-12(2)8(13(12,3)4)7-14-9-10(17(18)19)16-5-6-20-11(16)15-9/h5-6,8,14H,7H2,1-4H3
InChIKeyDPTNOPDBEFIZLO-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.40
Rot. Bonds4

About 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 79361286) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID79361286
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1(C)C(CNc2nc3sccn3c2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C13H18N4O2S/c1-12(2)8(13(12,3)4)7-14-9-10(17(18)19)16-5-6-20-11(16)15-9/h5-6,8,14H,7H2,1-4H3
InChIKeyDPTNOPDBEFIZLO-UHFFFAOYSA-N
XLogP3.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.40
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

N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950
N-[(1,1-dioxothiolan-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 81042876
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927
N-(4-methylsulfanylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 113238843
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
N'-cyclopropyl-N'-methyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 47981993
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103757363
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 79361286) is 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is CC1(C)C(CNc2nc3sccn3c2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is DPTNOPDBEFIZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-12(2)8(13(12,3)4)7-14-9-10(17(18)19)16-5-6-20-11(16)15-9/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 294.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 79361286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).