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

C14H26N2O2S — CID 114366296

IUPACN-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(C)(CC)OCC)nc1COC
InChIInChI=1S/C14H26N2O2S/c1-6-14(4,18-8-3)13-16-11(10-17-5)12(19-13)9-15-7-2/h15H,6-10H2,1-5H3
InChIKeyWAQVIRDTMOZNIG-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.06
Rot. Bonds9

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

N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366296) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366296
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(C)(CC)OCC)nc1COC
InChIInChI=1S/C14H26N2O2S/c1-6-14(4,18-8-3)13-16-11(10-17-5)12(19-13)9-15-7-2/h15H,6-10H2,1-5H3
InChIKeyWAQVIRDTMOZNIG-UHFFFAOYSA-N
XLogP3.06
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364301
N-[[4-ethyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841225
2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359602
N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440618
N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432329
N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368898
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[2-(2-methoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364619
N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365238
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510170
N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366160

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366296) is N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C(C)(CC)OCC)nc1COC.
What is the InChIKey of N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is WAQVIRDTMOZNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-6-14(4,18-8-3)13-16-11(10-17-5)12(19-13)9-15-7-2/h15H,6-10H2,1-5H3.
What are the key properties of N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).