1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

C14H26N2OS — CID 55156590

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNC(CC(C)(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C14H26N2OS/c1-10-11(2)18-13(16-10)12(9-14(3,4)5)15-7-8-17-6/h12,15H,7-9H2,1-6H3
InChIKeyAMYWKUIOQHZHHJ-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.47
Rot. Bonds6

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (PubChem CID 55156590) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
PubChem CID55156590
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNC(CC(C)(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C14H26N2OS/c1-10-11(2)18-13(16-10)12(9-14(3,4)5)15-7-8-17-6/h12,15H,7-9H2,1-6H3
InChIKeyAMYWKUIOQHZHHJ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 99821574
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 80306583
2-(2,2-difluoroethoxy)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 105910670
3-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
CID 113462364
2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine
CID 116535759
1-(4,5-Dimethylthiazol-2-yl)-3-methylbutan-1-amine
CID 24261722
2-[(5-Tert-butyl-4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 16494926
N-[(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 16494927
2-[1-(5-Tert-butyl-4-methyl-1,3-thiazol-2-yl)ethylamino]ethanol
CID 16494935
1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 16494936
2-[[(5-Tert-butyl-4-methyl-1,3-thiazol-2-yl)-cyclopropylmethyl]amino]ethanol
CID 16494944
N-[(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-cyclopropylmethyl]-2-methoxyethanamine
CID 16494945

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (CID 55156590) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is COCCNC(CC(C)(C)C)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is AMYWKUIOQHZHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-10-11(2)18-13(16-10)12(9-14(3,4)5)15-7-8-17-6/h12,15H,7-9H2,1-6H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 55156590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).