2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol

C12H20N2OS — CID 115723250

IUPAC2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1cncs1
InChIInChI=1S/C12H20N2OS/c1-9(12-7-13-8-16-12)14-6-10-4-2-3-5-11(10)15/h7-11,14-15H,2-6H2,1H3
InChIKeyLQRAYBAEYOOWSY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.34
Rot. Bonds4

About 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol

2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 115723250) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID115723250
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1cncs1
InChIInChI=1S/C12H20N2OS/c1-9(12-7-13-8-16-12)14-6-10-4-2-3-5-11(10)15/h7-11,14-15H,2-6H2,1H3
InChIKeyLQRAYBAEYOOWSY-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Cyclohexyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 75436021
2-pentan-3-yl-N-(1,3-thiazol-5-ylmethyl)oxan-4-amine
CID 75498796
2-Amino-5-methyl-1-(1,3-thiazol-5-yl)heptan-4-ol
CID 53658644
[1-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol
CID 55087029
3-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 55136599
4-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 55137818
4-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 60981808
[1-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
CID 62521536
[1-[(2-Methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
CID 62522206
[4-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
CID 62527596
[3-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
CID 62551283
[1-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-4-methylcyclohexyl]methanol
CID 62551807

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol (CID 115723250) is 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCCCC1O)c1cncs1.
What is the InChIKey of 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is LQRAYBAEYOOWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(12-7-13-8-16-12)14-6-10-4-2-3-5-11(10)15/h7-11,14-15H,2-6H2,1H3.
What are the key properties of 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol?
2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115723250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).