1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

C12H22N2S2 — CID 104841176

IUPAC1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(CSC(C)(C)C)sc1CNC
InChIInChI=1S/C12H22N2S2/c1-6-9-10(7-13-5)16-11(14-9)8-15-12(2,3)4/h13H,6-8H2,1-5H3
InChIKeyIKQJJSZUFHQWNU-UHFFFAOYSA-N
MW258.46 g/mol
LogP3.46
Rot. Bonds5

About 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 104841176) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID104841176
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Name1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(CSC(C)(C)C)sc1CNC
InChIInChI=1S/C12H22N2S2/c1-6-9-10(7-13-5)16-11(14-9)8-15-12(2,3)4/h13H,6-8H2,1-5H3
InChIKeyIKQJJSZUFHQWNU-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
1-[4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841198
2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838357
1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 113459583
1-[2-(2-ethoxypropan-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730710
N-[[2-(tert-butylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65138300
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432115
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
N-[[2-(2,2-dimethylpropyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104841999
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978
N-[[2-(tert-butylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 104841176) is 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(CSC(C)(C)C)sc1CNC.
What is the InChIKey of 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is IKQJJSZUFHQWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-6-9-10(7-13-5)16-11(14-9)8-15-12(2,3)4/h13H,6-8H2,1-5H3.
What are the key properties of 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 258.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 104841176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).