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

C13H18N4O3S — CID 115682951

IUPAC[1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol
SMILESO=[N+]([O-])c1c(NCC2(CO)CCCCC2)nc2sccn12
InChIInChI=1S/C13H18N4O3S/c18-9-13(4-2-1-3-5-13)8-14-10-11(17(19)20)16-6-7-21-12(16)15-10/h6-7,14,18H,1-5,8-9H2
InChIKeyBXLNQSMEABODIN-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.66
Rot. Bonds5

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

[1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 115682951) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol
PubChem CID115682951
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name[1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol
SMILESO=[N+]([O-])c1c(NCC2(CO)CCCCC2)nc2sccn12
InChIInChI=1S/C13H18N4O3S/c18-9-13(4-2-1-3-5-13)8-14-10-11(17(19)20)16-6-7-21-12(16)15-10/h6-7,14,18H,1-5,8-9H2
InChIKeyBXLNQSMEABODIN-UHFFFAOYSA-N
XLogP2.66
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
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

5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
N-[(1,1-dioxothiolan-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 81042876
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60570114
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
3-methyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butan-1-ol
CID 115650113
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
CID 43393095
2-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propyl]cyclohexan-1-ol
CID 133384953
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol (CID 115682951) is [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol is O=[N+]([O-])c1c(NCC2(CO)CCCCC2)nc2sccn12.
What is the InChIKey of [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is BXLNQSMEABODIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c18-9-13(4-2-1-3-5-13)8-14-10-11(17(19)20)16-6-7-21-12(16)15-10/h6-7,14,18H,1-5,8-9H2.
What are the key properties of [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 310.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 115682951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).