3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol

C10H16N2OS — CID 63002125

IUPAC3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCc2nccs2)C1
InChIInChI=1S/C10H16N2OS/c13-9-3-1-2-8(6-9)12-7-10-11-4-5-14-10/h4-5,8-9,12-13H,1-3,6-7H2
InChIKeyGFYSUNGNLGZOLE-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.54
Rot. Bonds3

About 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol

3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol (PubChem CID 63002125) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol
PubChem CID63002125
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCc2nccs2)C1
InChIInChI=1S/C10H16N2OS/c13-9-3-1-2-8(6-9)12-7-10-11-4-5-14-10/h4-5,8-9,12-13H,1-3,6-7H2
InChIKeyGFYSUNGNLGZOLE-UHFFFAOYSA-N
XLogP1.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol (CID 63002125) is 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol is OC1CCCC(NCc2nccs2)C1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol?
The InChIKey is GFYSUNGNLGZOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-9-3-1-2-8(6-9)12-7-10-11-4-5-14-10/h4-5,8-9,12-13H,1-3,6-7H2.
What are the key properties of 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol?
3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 63002125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).