3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol

C13H19N3O2S — CID 43792297

IUPAC3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCOc1nc2sccn2c1CNC1CCCC(O)C1
InChIInChI=1S/C13H19N3O2S/c1-18-12-11(16-5-6-19-13(16)15-12)8-14-9-3-2-4-10(17)7-9/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyVGOCGJDSOYCCHR-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.80
Rot. Bonds4

About 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol

3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 43792297) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol
PubChem CID43792297
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCOc1nc2sccn2c1CNC1CCCC(O)C1
InChIInChI=1S/C13H19N3O2S/c1-18-12-11(16-5-6-19-13(16)15-12)8-14-9-3-2-4-10(17)7-9/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyVGOCGJDSOYCCHR-UHFFFAOYSA-N
XLogP1.80
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclooctanamine
CID 43760152
2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 55064027
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734020
5-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-methylpiperidin-2-one
CID 64654906
(1R)-1-cyclohexyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81385166
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295391
1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82709719
3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
CID 106187628
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
N-(1H-imidazol-2-ylmethyl)-1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 64547605
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol (CID 43792297) is 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol is COc1nc2sccn2c1CNC1CCCC(O)C1.
What is the InChIKey of 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is VGOCGJDSOYCCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-18-12-11(16-5-6-19-13(16)15-12)8-14-9-3-2-4-10(17)7-9/h5-6,9-10,14,17H,2-4,7-8H2,1H3.
What are the key properties of 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol?
3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 281.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43792297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).