4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol

C11H20N2OS — CID 115972418

IUPAC4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
SMILESCCc1cnc(CNC(C)CCCO)s1
InChIInChI=1S/C11H20N2OS/c1-3-10-7-13-11(15-10)8-12-9(2)5-4-6-14/h7,9,12,14H,3-6,8H2,1-2H3
InChIKeyGUSNOMRYAUFSKM-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.96
Rot. Bonds7

About 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol

4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol (PubChem CID 115972418) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
PubChem CID115972418
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
SMILESCCc1cnc(CNC(C)CCCO)s1
InChIInChI=1S/C11H20N2OS/c1-3-10-7-13-11(15-10)8-12-9(2)5-4-6-14/h7,9,12,14H,3-6,8H2,1-2H3
InChIKeyGUSNOMRYAUFSKM-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 54883558
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111511522
1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787022
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 113262339
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine
CID 103729895
6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine
CID 104924918
1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787028
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
CID 61281607
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol (CID 115972418) is 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol is CCc1cnc(CNC(C)CCCO)s1.
What is the InChIKey of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol?
The InChIKey is GUSNOMRYAUFSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-10-7-13-11(15-10)8-12-9(2)5-4-6-14/h7,9,12,14H,3-6,8H2,1-2H3.
What are the key properties of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol?
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 115972418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).