1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol

C14H26N2OS — CID 113261392

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1sc(C)nc1C
InChIInChI=1S/C14H26N2OS/c1-6-12(7-2)13(17)8-15-9(3)14-10(4)16-11(5)18-14/h9,12-13,15,17H,6-8H2,1-5H3
InChIKeyQIEGYRCNNKNNBG-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.21
Rot. Bonds7

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

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol (PubChem CID 113261392) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
PubChem CID113261392
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1sc(C)nc1C
InChIInChI=1S/C14H26N2OS/c1-6-12(7-2)13(17)8-15-9(3)14-10(4)16-11(5)18-14/h9,12-13,15,17H,6-8H2,1-5H3
InChIKeyQIEGYRCNNKNNBG-UHFFFAOYSA-N
XLogP3.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol
CID 63929030
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61193911
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81419325
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 62141442
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-methylacetamide
CID 61193340

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol (CID 113261392) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)c1sc(C)nc1C.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol?
The InChIKey is QIEGYRCNNKNNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-6-12(7-2)13(17)8-15-9(3)14-10(4)16-11(5)18-14/h9,12-13,15,17H,6-8H2,1-5H3.
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol has a molecular weight of 270.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 113261392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).