N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine

C11H11IN2S — CID 173407202

IUPACN-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine
SMILESIc1cccc(CCNc2nccs2)c1
InChIInChI=1S/C11H11IN2S/c12-10-3-1-2-9(8-10)4-5-13-11-14-6-7-15-11/h1-3,6-8H,4-5H2,(H,13,14)
InChIKeyLLEDVMDXSSPFTO-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine

N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 173407202) has the molecular formula C11H11IN2S and a molecular weight of 330.19 g/mol. Its IUPAC name is N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID173407202
Molecular FormulaC11H11IN2S
Molecular Weight330.19 g/mol
Exact Mass329.97
IUPAC NameN-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine
SMILESIc1cccc(CCNc2nccs2)c1
InChIInChI=1S/C11H11IN2S/c12-10-3-1-2-9(8-10)4-5-13-11-14-6-7-15-11/h1-3,6-8H,4-5H2,(H,13,14)
InChIKeyLLEDVMDXSSPFTO-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.40
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 N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine (CID 173407202) is N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine is Ic1cccc(CCNc2nccs2)c1.
What is the InChIKey of N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is LLEDVMDXSSPFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2S/c12-10-3-1-2-9(8-10)4-5-13-11-14-6-7-15-11/h1-3,6-8H,4-5H2,(H,13,14).
What are the key properties of N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine?
N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 330.19 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 173407202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).