3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol

C13H24N2OS — CID 103822936

IUPAC3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1csc(C)n1
InChIInChI=1S/C13H24N2OS/c1-4-5-12(6-7-16)8-14-10(2)13-9-17-11(3)15-13/h9-10,12,14,16H,4-8H2,1-3H3
InChIKeyIBOMLXVSGTYWNJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.90
Rot. Bonds8

About 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol

3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol (PubChem CID 103822936) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
PubChem CID103822936
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1csc(C)n1
InChIInChI=1S/C13H24N2OS/c1-4-5-12(6-7-16)8-14-10(2)13-9-17-11(3)15-13/h9-10,12,14,16H,4-8H2,1-3H3
InChIKeyIBOMLXVSGTYWNJ-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 115748046
4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol
CID 103822917
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
3-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]hexan-1-ol
CID 103787462
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
CID 103922658
3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol
CID 106114233
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121
N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
CID 54903725

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol (CID 103822936) is 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol is CCCC(CCO)CNC(C)c1csc(C)n1.
What is the InChIKey of 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol?
The InChIKey is IBOMLXVSGTYWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-5-12(6-7-16)8-14-10(2)13-9-17-11(3)15-13/h9-10,12,14,16H,4-8H2,1-3H3.
What are the key properties of 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol?
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103822936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).