4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine

C12H14N2S — CID 854786

IUPAC4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2nc(N)sc2C)cc1
InChIInChI=1S/C12H14N2S/c1-3-9-4-6-10(7-5-9)11-8(2)15-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyDXJYDMVDEAVIJL-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.26
Rot. Bonds2

About 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine

4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 854786) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID854786
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2nc(N)sc2C)cc1
InChIInChI=1S/C12H14N2S/c1-3-9-4-6-10(7-5-9)11-8(2)15-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyDXJYDMVDEAVIJL-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine (CID 854786) is 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine is CCc1ccc(-c2nc(N)sc2C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is DXJYDMVDEAVIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-3-9-4-6-10(7-5-9)11-8(2)15-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14).
What are the key properties of 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine?
4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 218.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 854786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).