5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol

C11H16N4O3S — CID 107203480

IUPAC5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
SMILESCN(CCCCCO)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3S/c1-13(5-3-2-4-7-16)9-10(15(17)18)14-6-8-19-11(14)12-9/h6,8,16H,2-5,7H2,1H3
InChIKeyAUNLDSYATCXDGK-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.90
Rot. Bonds7

About 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol

5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol (PubChem CID 107203480) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
PubChem CID107203480
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
SMILESCN(CCCCCO)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3S/c1-13(5-3-2-4-7-16)9-10(15(17)18)14-6-8-19-11(14)12-9/h6,8,16H,2-5,7H2,1H3
InChIKeyAUNLDSYATCXDGK-UHFFFAOYSA-N
XLogP1.90
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 133274109
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095773
2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid
CID 60838498
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
3-methyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butan-1-ol
CID 115650113
1-[benzyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-2-methylpropan-2-ol
CID 133435526
1-benzyl-3-[[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]pyrrolidin-3-ol
CID 133497094
6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63695584
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
CID 3741324
3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)butan-2-amine
CID 63198309
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
CID 104571144

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol (CID 107203480) is 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol is CN(CCCCCO)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The InChIKey is AUNLDSYATCXDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-13(5-3-2-4-7-16)9-10(15(17)18)14-6-8-19-11(14)12-9/h6,8,16H,2-5,7H2,1H3.
What are the key properties of 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol has a molecular weight of 284.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol is sourced from PubChem (CID 107203480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).