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

C13H17IN2S — CID 62524295

IUPAC4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccccc2I)=N1
InChIInChI=1S/C13H17IN2S/c1-3-13(4-2)9-17-12(16-13)15-11-8-6-5-7-10(11)14/h5-8H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyMRGOVLQUWKHGFS-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.36
Rot. Bonds3

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

4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine (PubChem CID 62524295) has the molecular formula C13H17IN2S and a molecular weight of 360.26 g/mol. Its IUPAC name is 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine
PubChem CID62524295
Molecular FormulaC13H17IN2S
Molecular Weight360.26 g/mol
Exact Mass360.02
IUPAC Name4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccccc2I)=N1
InChIInChI=1S/C13H17IN2S/c1-3-13(4-2)9-17-12(16-13)15-11-8-6-5-7-10(11)14/h5-8H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyMRGOVLQUWKHGFS-UHFFFAOYSA-N
XLogP4.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine (CID 62524295) is 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2ccccc2I)=N1.
What is the InChIKey of 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine?
The InChIKey is MRGOVLQUWKHGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2S/c1-3-13(4-2)9-17-12(16-13)15-11-8-6-5-7-10(11)14/h5-8H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine?
4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine has a molecular weight of 360.26 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62524295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).