4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine

C15H22N2S — CID 55081235

IUPAC4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine
SMILESCCc1ccc(NC2=NC(CC)(CC)CS2)cc1
InChIInChI=1S/C15H22N2S/c1-4-12-7-9-13(10-8-12)16-14-17-15(5-2,6-3)11-18-14/h7-10H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyUMDLLKJHFGAFPI-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.32
Rot. Bonds4

About 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine

4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine (PubChem CID 55081235) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine
PubChem CID55081235
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine
SMILESCCc1ccc(NC2=NC(CC)(CC)CS2)cc1
InChIInChI=1S/C15H22N2S/c1-4-12-7-9-13(10-8-12)16-14-17-15(5-2,6-3)11-18-14/h7-10H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyUMDLLKJHFGAFPI-UHFFFAOYSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine (CID 55081235) is 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine is CCc1ccc(NC2=NC(CC)(CC)CS2)cc1.
What is the InChIKey of 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine?
The InChIKey is UMDLLKJHFGAFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-4-12-7-9-13(10-8-12)16-14-17-15(5-2,6-3)11-18-14/h7-10H,4-6,11H2,1-3H3,(H,16,17).
What are the key properties of 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine?
4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 55081235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).