N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C14H26N2OS — CID 116774273

IUPACN-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(C(CC)(CC)OC)nc1C
InChIInChI=1S/C14H26N2OS/c1-7-14(8-2,17-6)13-16-11(5)12(18-13)10(4)15-9-3/h10,15H,7-9H2,1-6H3
InChIKeyHXRJEAUVEKUYKR-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.78
Rot. Bonds7

About N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 116774273) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID116774273
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(C(CC)(CC)OC)nc1C
InChIInChI=1S/C14H26N2OS/c1-7-14(8-2,17-6)13-16-11(5)12(18-13)10(4)15-9-3/h10,15H,7-9H2,1-6H3
InChIKeyHXRJEAUVEKUYKR-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 116777851
5-[1-(ethylamino)ethyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 62749881
1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 116774121
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634562
1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727561
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 116774268
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462433
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763215
1-[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62750411
5-[1-(ethylamino)ethyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62755193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 116774273) is N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1sc(C(CC)(CC)OC)nc1C.
What is the InChIKey of N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HXRJEAUVEKUYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-7-14(8-2,17-6)13-16-11(5)12(18-13)10(4)15-9-3/h10,15H,7-9H2,1-6H3.
What are the key properties of N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 270.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 116774273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).