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

C5H7IN2S — CID 163664875

IUPAC4-ethyl-N-iodo-1,3-thiazol-2-amine
SMILESCCc1csc(NI)n1
InChIInChI=1S/C5H7IN2S/c1-2-4-3-9-5(7-4)8-6/h3H,2H2,1H3,(H,7,8)
InChIKeyIXMNIMZWHDBMBZ-UHFFFAOYSA-N
MW254.10 g/mol
LogP2.47
Rot. Bonds2

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

4-ethyl-N-iodo-1,3-thiazol-2-amine (PubChem CID 163664875) has the molecular formula C5H7IN2S and a molecular weight of 254.10 g/mol. Its IUPAC name is 4-ethyl-N-iodo-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-iodo-1,3-thiazol-2-amine
PubChem CID163664875
Molecular FormulaC5H7IN2S
Molecular Weight254.10 g/mol
Exact Mass253.94
IUPAC Name4-ethyl-N-iodo-1,3-thiazol-2-amine
SMILESCCc1csc(NI)n1
InChIInChI=1S/C5H7IN2S/c1-2-4-3-9-5(7-4)8-6/h3H,2H2,1H3,(H,7,8)
InChIKeyIXMNIMZWHDBMBZ-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 52.47
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 4-ethyl-N-iodo-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-iodo-1,3-thiazol-2-amine (CID 163664875) is 4-ethyl-N-iodo-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-iodo-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-iodo-1,3-thiazol-2-amine is CCc1csc(NI)n1.
What is the InChIKey of 4-ethyl-N-iodo-1,3-thiazol-2-amine?
The InChIKey is IXMNIMZWHDBMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2S/c1-2-4-3-9-5(7-4)8-6/h3H,2H2,1H3,(H,7,8).
What are the key properties of 4-ethyl-N-iodo-1,3-thiazol-2-amine?
4-ethyl-N-iodo-1,3-thiazol-2-amine has a molecular weight of 254.10 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-iodo-1,3-thiazol-2-amine is sourced from PubChem (CID 163664875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).