N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H26N2OS — CID 114362625

IUPACN-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CC(C)OC)nc1C(C)(C)C
InChIInChI=1S/C14H26N2OS/c1-7-15-9-11-13(14(3,4)5)16-12(18-11)8-10(2)17-6/h10,15H,7-9H2,1-6H3
InChIKeyITAUEXWEANTOEN-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.13
Rot. Bonds6

About N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114362625) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114362625
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CC(C)OC)nc1C(C)(C)C
InChIInChI=1S/C14H26N2OS/c1-7-15-9-11-13(14(3,4)5)16-12(18-11)8-10(2)17-6/h10,15H,7-9H2,1-6H3
InChIKeyITAUEXWEANTOEN-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
CID 114361034
N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82438412
N-[[4-tert-butyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362510
4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazole-5-carboxylic acid
CID 114359392
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369718
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
N-[[4-tert-butyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362663
N-[[4-tert-butyl-2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82439313
N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82439416
N-[[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362524
N-[[4-tert-butyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114362715
N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82438785

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114362625) is N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CC(C)OC)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is ITAUEXWEANTOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-7-15-9-11-13(14(3,4)5)16-12(18-11)8-10(2)17-6/h10,15H,7-9H2,1-6H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 270.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114362625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).