N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine

C12H22N2S — CID 107816461

IUPACN-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCCCC(CC)CNc1nc(C)cs1
InChIInChI=1S/C12H22N2S/c1-4-6-7-11(5-2)8-13-12-14-10(3)9-15-12/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyWAOOWXIYTYPVJW-UHFFFAOYSA-N
MW226.39 g/mol
LogP4.08
Rot. Bonds7

About N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine

N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 107816461) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID107816461
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCCCC(CC)CNc1nc(C)cs1
InChIInChI=1S/C12H22N2S/c1-4-6-7-11(5-2)8-13-12-14-10(3)9-15-12/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyWAOOWXIYTYPVJW-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-(2-ethylhexylamino)-1,3-thiazol-4-yl]propanoate
CID 107818852
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
CID 65226722
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
CID 107818817
3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
CID 104769579
N-(2-ethylhexyl)-1,3-benzothiazol-2-amine
CID 103603194
2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 43470226
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
N-(2-ethylhexyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 107816517
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 81066460
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine (CID 107816461) is N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine is CCCCC(CC)CNc1nc(C)cs1.
What is the InChIKey of N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is WAOOWXIYTYPVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-6-7-11(5-2)8-13-12-14-10(3)9-15-12/h9,11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine?
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 226.39 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107816461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).