4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H16N2S — CID 3866486

IUPAC4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(C)cc2)=N1
InChIInChI=1S/C12H16N2S/c1-3-10-8-15-12(13-10)14-11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14)
InChIKeyAYJLDWNXWJOGPT-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.29
Rot. Bonds2

About 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3866486) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3866486
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(C)cc2)=N1
InChIInChI=1S/C12H16N2S/c1-3-10-8-15-12(13-10)14-11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14)
InChIKeyAYJLDWNXWJOGPT-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 3866486) is 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2ccc(C)cc2)=N1.
What is the InChIKey of 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AYJLDWNXWJOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-3-10-8-15-12(13-10)14-11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3866486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).