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

C12H22N2OS — CID 115972512

IUPAC4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
SMILESCCc1cnc(C(C)NC(C)CCCO)s1
InChIInChI=1S/C12H22N2OS/c1-4-11-8-13-12(16-11)10(3)14-9(2)6-5-7-15/h8-10,14-15H,4-7H2,1-3H3
InChIKeyMXNKVCRAOZGSIS-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.52
Rot. Bonds7

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

4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol (PubChem CID 115972512) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
PubChem CID115972512
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
SMILESCCc1cnc(C(C)NC(C)CCCO)s1
InChIInChI=1S/C12H22N2OS/c1-4-11-8-13-12(16-11)10(3)14-9(2)6-5-7-15/h8-10,14-15H,4-7H2,1-3H3
InChIKeyMXNKVCRAOZGSIS-UHFFFAOYSA-N
XLogP2.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 115972418
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 112700494
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107707104
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 112700496
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide
CID 115679811
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 115726774

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol?
The IUPAC name of 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol (CID 115972512) is 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol is CCc1cnc(C(C)NC(C)CCCO)s1.
What is the InChIKey of 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol?
The InChIKey is MXNKVCRAOZGSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-11-8-13-12(16-11)10(3)14-9(2)6-5-7-15/h8-10,14-15H,4-7H2,1-3H3.
What are the key properties of 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol?
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 115972512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).