4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine

C12H15IN2S — CID 64556048

IUPAC4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cccc(I)c2)=N1
InChIInChI=1S/C12H15IN2S/c1-3-12(2)8-16-11(15-12)14-10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyXOOPHPAHRBJAGL-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.97
Rot. Bonds2

About 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine

4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64556048) has the molecular formula C12H15IN2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64556048
Molecular FormulaC12H15IN2S
Molecular Weight346.24 g/mol
Exact Mass346.00
IUPAC Name4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cccc(I)c2)=N1
InChIInChI=1S/C12H15IN2S/c1-3-12(2)8-16-11(15-12)14-10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyXOOPHPAHRBJAGL-UHFFFAOYSA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine (CID 64556048) is 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2cccc(I)c2)=N1.
What is the InChIKey of 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is XOOPHPAHRBJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2S/c1-3-12(2)8-16-11(15-12)14-10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine?
4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 346.24 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64556048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).