N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine

C14H26N2OS — CID 112700494

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCCc1cnc(C(C)NC(C)CC(C)(C)OC)s1
InChIInChI=1S/C14H26N2OS/c1-7-12-9-15-13(18-12)11(3)16-10(2)8-14(4,5)17-6/h9-11,16H,7-8H2,1-6H3
InChIKeyPAXWSFNQOOUSRZ-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.56
Rot. Bonds7

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 112700494) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID112700494
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCCc1cnc(C(C)NC(C)CC(C)(C)OC)s1
InChIInChI=1S/C14H26N2OS/c1-7-12-9-15-13(18-12)11(3)16-10(2)8-14(4,5)17-6/h9-11,16H,7-8H2,1-6H3
InChIKeyPAXWSFNQOOUSRZ-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
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
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 115726774
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
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107707104
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 115726807
(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 99637053

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine (CID 112700494) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine is CCc1cnc(C(C)NC(C)CC(C)(C)OC)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is PAXWSFNQOOUSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-7-12-9-15-13(18-12)11(3)16-10(2)8-14(4,5)17-6/h9-11,16H,7-8H2,1-6H3.
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 112700494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).