2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine

C14H26N2S — CID 83159932

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1nc(C)c(C)s1)C(C)C
InChIInChI=1S/C14H26N2S/c1-7-15-9-14(6,10(2)3)8-13-16-11(4)12(5)17-13/h10,15H,7-9H2,1-6H3
InChIKeyMRNHOENHBZELSK-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.57
Rot. Bonds6

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine

2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 83159932) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID83159932
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1nc(C)c(C)s1)C(C)C
InChIInChI=1S/C14H26N2S/c1-7-15-9-14(6,10(2)3)8-13-16-11(4)12(5)17-13/h10,15H,7-9H2,1-6H3
InChIKeyMRNHOENHBZELSK-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159298
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83160204
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105273954
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 83160211
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454583
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-5-methoxyhexan-2-amine
CID 105171727
2-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159723
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine
CID 61334818
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240784
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3-diethyl-3-methoxypentan-2-amine
CID 116761111

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (CID 83159932) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)(Cc1nc(C)c(C)s1)C(C)C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is MRNHOENHBZELSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-7-15-9-14(6,10(2)3)8-13-16-11(4)12(5)17-13/h10,15H,7-9H2,1-6H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83159932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).