5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

C13H15IN2OS — CID 79774869

IUPAC5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2cccc(I)c2)s1
InChIInChI=1S/C13H15IN2OS/c1-2-6-15-13-16-8-12(18-13)9-17-11-5-3-4-10(14)7-11/h3-5,7-8H,2,6,9H2,1H3,(H,15,16)
InChIKeyLAKGPHUIBXAYES-UHFFFAOYSA-N
MW374.25 g/mol
LogP4.15
Rot. Bonds6

About 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774869) has the molecular formula C13H15IN2OS and a molecular weight of 374.25 g/mol. Its IUPAC name is 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79774869
Molecular FormulaC13H15IN2OS
Molecular Weight374.25 g/mol
Exact Mass373.99
IUPAC Name5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2cccc(I)c2)s1
InChIInChI=1S/C13H15IN2OS/c1-2-6-15-13-16-8-12(18-13)9-17-11-5-3-4-10(14)7-11/h3-5,7-8H,2,6,9H2,1H3,(H,15,16)
InChIKeyLAKGPHUIBXAYES-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 54.15
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

5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774302
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
N-ethyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775041
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 83140243
[2-[[2-(propylamino)-1,3-thiazol-5-yl]methoxy]phenyl]methanol
CID 79775065

Frequently Asked Questions

What is the IUPAC name of 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79774869) is 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COc2cccc(I)c2)s1.
What is the InChIKey of 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is LAKGPHUIBXAYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2OS/c1-2-6-15-13-16-8-12(18-13)9-17-11-5-3-4-10(14)7-11/h3-5,7-8H,2,6,9H2,1H3,(H,15,16).
What are the key properties of 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 374.25 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).