4-iodo-1,3-thiazol-2-amine

C3H3IN2S — CID 23062300

IUPAC4-iodo-1,3-thiazol-2-amine
SMILESNc1nc(I)cs1
InChIInChI=1S/C3H3IN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)
InChIKeyNWAGBIGYWRXBAI-UHFFFAOYSA-N
MW226.04 g/mol
LogP1.33
Rot. Bonds

About 4-iodo-1,3-thiazol-2-amine

4-iodo-1,3-thiazol-2-amine (PubChem CID 23062300) has the molecular formula C3H3IN2S and a molecular weight of 226.04 g/mol. Its IUPAC name is 4-iodo-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-iodo-1,3-thiazol-2-amine
PubChem CID23062300
Molecular FormulaC3H3IN2S
Molecular Weight226.04 g/mol
Exact Mass225.91
IUPAC Name4-iodo-1,3-thiazol-2-amine
SMILESNc1nc(I)cs1
InChIInChI=1S/C3H3IN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)
InChIKeyNWAGBIGYWRXBAI-UHFFFAOYSA-N
XLogP1.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,3-thiazol-2-amine?
The IUPAC name of 4-iodo-1,3-thiazol-2-amine (CID 23062300) is 4-iodo-1,3-thiazol-2-amine.
What is the SMILES notation for 4-iodo-1,3-thiazol-2-amine?
The canonical SMILES for 4-iodo-1,3-thiazol-2-amine is Nc1nc(I)cs1.
What is the InChIKey of 4-iodo-1,3-thiazol-2-amine?
The InChIKey is NWAGBIGYWRXBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6).
What are the key properties of 4-iodo-1,3-thiazol-2-amine?
4-iodo-1,3-thiazol-2-amine has a molecular weight of 226.04 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,3-thiazol-2-amine is sourced from PubChem (CID 23062300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).