N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

C7H11IN2OS — CID 66224110

IUPACN-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(I)s1
InChIInChI=1S/C7H11IN2OS/c1-11-3-2-9-5-7-10-4-6(8)12-7/h4,9H,2-3,5H2,1H3
InChIKeyDJNDQTQGBGCIIJ-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.48
Rot. Bonds5

About N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 66224110) has the molecular formula C7H11IN2OS and a molecular weight of 298.15 g/mol. Its IUPAC name is N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID66224110
Molecular FormulaC7H11IN2OS
Molecular Weight298.15 g/mol
Exact Mass297.96
IUPAC NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(I)s1
InChIInChI=1S/C7H11IN2OS/c1-11-3-2-9-5-7-10-4-6(8)12-7/h4,9H,2-3,5H2,1H3
InChIKeyDJNDQTQGBGCIIJ-UHFFFAOYSA-N
XLogP1.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 66224110) is N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNCc1ncc(I)s1.
What is the InChIKey of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is DJNDQTQGBGCIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2OS/c1-11-3-2-9-5-7-10-4-6(8)12-7/h4,9H,2-3,5H2,1H3.
What are the key properties of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 298.15 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 66224110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).