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

C11H20N2OS — CID 115748046

IUPAC3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1csc(C)n1
InChIInChI=1S/C11H20N2OS/c1-4-10(5-6-14)12-8(2)11-7-15-9(3)13-11/h7-8,10,12,14H,4-6H2,1-3H3
InChIKeyCHHPGDXCGFGFJT-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.26
Rot. Bonds6

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

3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol (PubChem CID 115748046) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
PubChem CID115748046
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1csc(C)n1
InChIInChI=1S/C11H20N2OS/c1-4-10(5-6-14)12-8(2)11-7-15-9(3)13-11/h7-8,10,12,14H,4-6H2,1-3H3
InChIKeyCHHPGDXCGFGFJT-UHFFFAOYSA-N
XLogP2.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
CID 103922658
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
CID 103822936
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455461
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol
CID 115723090
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol?
The IUPAC name of 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol (CID 115748046) is 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol is CCC(CCO)NC(C)c1csc(C)n1.
What is the InChIKey of 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol?
The InChIKey is CHHPGDXCGFGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-10(5-6-14)12-8(2)11-7-15-9(3)13-11/h7-8,10,12,14H,4-6H2,1-3H3.
What are the key properties of 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol?
3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.26, 6 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]pentan-1-ol is sourced from PubChem (CID 115748046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).