5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine

C15H21N3S — CID 103384488

IUPAC5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCC(CC)CNc1snc(N)c1-c1ccccc1
InChIInChI=1S/C15H21N3S/c1-3-11(4-2)10-17-15-13(14(16)18-19-15)12-8-6-5-7-9-12/h5-9,11,17H,3-4,10H2,1-2H3,(H2,16,18)
InChIKeyQFTUFDJEZVBION-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.24
Rot. Bonds6

About 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine

5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103384488) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103384488
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCC(CC)CNc1snc(N)c1-c1ccccc1
InChIInChI=1S/C15H21N3S/c1-3-11(4-2)10-17-15-13(14(16)18-19-15)12-8-6-5-7-9-12/h5-9,11,17H,3-4,10H2,1-2H3,(H2,16,18)
InChIKeyQFTUFDJEZVBION-UHFFFAOYSA-N
XLogP4.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine (CID 103384488) is 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine is CCC(CC)CNc1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is QFTUFDJEZVBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-11(4-2)10-17-15-13(14(16)18-19-15)12-8-6-5-7-9-12/h5-9,11,17H,3-4,10H2,1-2H3,(H2,16,18).
What are the key properties of 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 275.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103384488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).