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

C10H14N4O2S — CID 16780411

IUPACN-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(C)CCNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2S/c1-7(2)3-4-11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3
InChIKeyQCOJDDYHCQYBJM-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.76
Rot. Bonds5

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

N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16780411) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16780411
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(C)CCNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2S/c1-7(2)3-4-11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3
InChIKeyQCOJDDYHCQYBJM-UHFFFAOYSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.76
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-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-5-nitrothiazol-2-amine
CID 129841553
5-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 36250464
5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43471138
5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55175332
5-nitro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79040115
N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 79099277
N'-(2,2-difluoroethyl)-N'-ethyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 86819420
N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103081320
1,1-Difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol
CID 103731272
5-nitro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 104854461
2,2-Difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol
CID 104858423
5-nitro-N-[1-(trifluoromethyl)cyclopropyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 106214918

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 16780411) is N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CC(C)CCNc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is QCOJDDYHCQYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-7(2)3-4-11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 254.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16780411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).