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

C13H24N2OS — CID 82438412

IUPACN-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOC)nc1C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-14-9-10-12(13(2,3)4)15-11(17-10)7-8-16-5/h14H,6-9H2,1-5H3
InChIKeyVQPIGJHOHNKAGX-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.74
Rot. Bonds6

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

N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82438412) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82438412
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOC)nc1C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-14-9-10-12(13(2,3)4)15-11(17-10)7-8-16-5/h14H,6-9H2,1-5H3
InChIKeyVQPIGJHOHNKAGX-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362625
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459711
N-[[4-tert-butyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362510
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methanol
CID 82428335
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543
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-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82439489
N-[[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362524
2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 82438412) is N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCOC)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is VQPIGJHOHNKAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-14-9-10-12(13(2,3)4)15-11(17-10)7-8-16-5/h14H,6-9H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 256.41 g/mol, XLogP of 2.74, 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-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82438412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).