trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol

C11H14N4O3S — CID 94415218

IUPACtrans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2O)nc2sccn12
InChIInChI=1S/C11H14N4O3S/c16-8-4-2-1-3-7(8)12-9-10(15(17)18)14-5-6-19-11(14)13-9/h5-8,12,16H,1-4H2/t7-,8-/m1/s1
InChIKeySWZSCSZRPQSFMA-HTQZYQBOSA-N
MW282.32 g/mol
LogP2.02
Rot. Bonds3

About trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol (PubChem CID 94415218) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
PubChem CID94415218
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Nametrans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2O)nc2sccn12
InChIInChI=1S/C11H14N4O3S/c16-8-4-2-1-3-7(8)12-9-10(15(17)18)14-5-6-19-11(14)13-9/h5-8,12,16H,1-4H2/t7-,8-/m1/s1
InChIKeySWZSCSZRPQSFMA-HTQZYQBOSA-N
XLogP2.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol (CID 94415218) is trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol is O=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2O)nc2sccn12.
What is the InChIKey of trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol?
The InChIKey is SWZSCSZRPQSFMA-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H14N4O3S/c16-8-4-2-1-3-7(8)12-9-10(15(17)18)14-5-6-19-11(14)13-9/h5-8,12,16H,1-4H2/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol has a molecular weight of 282.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 94415218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).