1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine

C4H4BrIN2S — CID 129171315

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine
SMILESBrc1csc(CNI)n1
InChIInChI=1S/C4H4BrIN2S/c5-3-2-9-4(8-3)1-7-6/h2,7H,1H2
InChIKeySHCRYALUIVBSGM-UHFFFAOYSA-N
MW318.97 g/mol
LogP2.35
Rot. Bonds2

About 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine

1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine (PubChem CID 129171315) has the molecular formula C4H4BrIN2S and a molecular weight of 318.97 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine
PubChem CID129171315
Molecular FormulaC4H4BrIN2S
Molecular Weight318.97 g/mol
Exact Mass317.83
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine
SMILESBrc1csc(CNI)n1
InChIInChI=1S/C4H4BrIN2S/c5-3-2-9-4(8-3)1-7-6/h2,7H,1H2
InChIKeySHCRYALUIVBSGM-UHFFFAOYSA-N
XLogP2.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.97
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine (CID 129171315) is 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine is Brc1csc(CNI)n1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine?
The InChIKey is SHCRYALUIVBSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrIN2S/c5-3-2-9-4(8-3)1-7-6/h2,7H,1H2.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine?
1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine has a molecular weight of 318.97 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine is sourced from PubChem (CID 129171315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).