5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine

C4H7IN2S — CID 3528755

IUPAC5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(CI)S1
InChIInChI=1S/C4H7IN2S/c5-1-3-2-7-4(6)8-3/h3H,1-2H2,(H2,6,7)
InChIKeyFPAJMMGUTXUNSG-UHFFFAOYSA-N
MW242.08 g/mol
LogP0.85
Rot. Bonds1

About 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3528755) has the molecular formula C4H7IN2S and a molecular weight of 242.08 g/mol. Its IUPAC name is 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3528755
Molecular FormulaC4H7IN2S
Molecular Weight242.08 g/mol
Exact Mass241.94
IUPAC Name5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(CI)S1
InChIInChI=1S/C4H7IN2S/c5-1-3-2-7-4(6)8-3/h3H,1-2H2,(H2,6,7)
InChIKeyFPAJMMGUTXUNSG-UHFFFAOYSA-N
XLogP0.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 3528755) is 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine is NC1=NCC(CI)S1.
What is the InChIKey of 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FPAJMMGUTXUNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2S/c5-1-3-2-7-4(6)8-3/h3H,1-2H2,(H2,6,7).
What are the key properties of 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.08 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3528755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).