4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine

C10H9IN2OS — CID 43144743

IUPAC4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc(I)cc2)cs1
InChIInChI=1S/C10H9IN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKeyXRYLPBHCJZDNQR-UHFFFAOYSA-N
MW332.17 g/mol
LogP2.91
Rot. Bonds3

About 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine

4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 43144743) has the molecular formula C10H9IN2OS and a molecular weight of 332.17 g/mol. Its IUPAC name is 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID43144743
Molecular FormulaC10H9IN2OS
Molecular Weight332.17 g/mol
Exact Mass331.95
IUPAC Name4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc(I)cc2)cs1
InChIInChI=1S/C10H9IN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKeyXRYLPBHCJZDNQR-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine
CID 62273519
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 79238777
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 28913056
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
4-[(2,4,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 82086931
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137858
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
4-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137911

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine (CID 43144743) is 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine is Nc1nc(COc2ccc(I)cc2)cs1.
What is the InChIKey of 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is XRYLPBHCJZDNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine?
4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 332.17 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43144743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).