5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine

C12H23N3S — CID 107819499

IUPAC5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCCCC(CC)CNc1snc(N)c1C
InChIInChI=1S/C12H23N3S/c1-4-6-7-10(5-2)8-14-12-9(3)11(13)15-16-12/h10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyZGAGYBZNPJOOOV-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.66
Rot. Bonds7

About 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 107819499) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID107819499
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCCCC(CC)CNc1snc(N)c1C
InChIInChI=1S/C12H23N3S/c1-4-6-7-10(5-2)8-14-12-9(3)11(13)15-16-12/h10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyZGAGYBZNPJOOOV-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 107819499) is 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine is CCCCC(CC)CNc1snc(N)c1C.
What is the InChIKey of 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZGAGYBZNPJOOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-6-7-10(5-2)8-14-12-9(3)11(13)15-16-12/h10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 241.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 107819499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).