4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol

C11H18N2OS — CID 106125249

IUPAC4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2nccs2)CC1
InChIInChI=1S/C11H18N2OS/c14-10-3-1-9(2-4-10)7-12-8-11-13-5-6-15-11/h5-6,9-10,12,14H,1-4,7-8H2
InChIKeyGBXBNADQIZOPMF-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.78
Rot. Bonds4

About 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol

4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 106125249) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID106125249
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2nccs2)CC1
InChIInChI=1S/C11H18N2OS/c14-10-3-1-9(2-4-10)7-12-8-11-13-5-6-15-11/h5-6,9-10,12,14H,1-4,7-8H2
InChIKeyGBXBNADQIZOPMF-UHFFFAOYSA-N
XLogP1.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol (CID 106125249) is 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCC(CNCc2nccs2)CC1.
What is the InChIKey of 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is GBXBNADQIZOPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c14-10-3-1-9(2-4-10)7-12-8-11-13-5-6-15-11/h5-6,9-10,12,14H,1-4,7-8H2.
What are the key properties of 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol?
4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).