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

C4H5IN2S — CID 23341795

IUPAC5-iodo-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1I
InChIInChI=1S/C4H5IN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)
InChIKeyTUDBFJSDYWCXHY-UHFFFAOYSA-N
MW240.07 g/mol
LogP1.64
Rot. Bonds

About 5-iodo-4-methyl-1,3-thiazol-2-amine

5-iodo-4-methyl-1,3-thiazol-2-amine (PubChem CID 23341795) has the molecular formula C4H5IN2S and a molecular weight of 240.07 g/mol. Its IUPAC name is 5-iodo-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-iodo-4-methyl-1,3-thiazol-2-amine
PubChem CID23341795
Molecular FormulaC4H5IN2S
Molecular Weight240.07 g/mol
Exact Mass239.92
IUPAC Name5-iodo-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1I
InChIInChI=1S/C4H5IN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)
InChIKeyTUDBFJSDYWCXHY-UHFFFAOYSA-N
XLogP1.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 51.64
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 5-iodo-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-iodo-4-methyl-1,3-thiazol-2-amine (CID 23341795) is 5-iodo-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-iodo-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-iodo-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1I.
What is the InChIKey of 5-iodo-4-methyl-1,3-thiazol-2-amine?
The InChIKey is TUDBFJSDYWCXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7).
What are the key properties of 5-iodo-4-methyl-1,3-thiazol-2-amine?
5-iodo-4-methyl-1,3-thiazol-2-amine has a molecular weight of 240.07 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 23341795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).