lithium 4-iodo-1,3-thiazole-2-carboxylate

C4HILiNO2S — CID 167730450

IUPAClithium 4-iodo-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nc(I)cs1.[Li+]
InChIInChI=1S/C4H2INO2S.Li/c5-2-1-9-3(6-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1
InChIKeyMMDOJXBRDATDIE-UHFFFAOYSA-M
MW260.97 g/mol
LogP-2.88
Rot. Bonds1

About lithium 4-iodo-1,3-thiazole-2-carboxylate

lithium 4-iodo-1,3-thiazole-2-carboxylate (PubChem CID 167730450) has the molecular formula C4HILiNO2S and a molecular weight of 260.97 g/mol. Its IUPAC name is lithium 4-iodo-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 4-iodo-1,3-thiazole-2-carboxylate
PubChem CID167730450
Molecular FormulaC4HILiNO2S
Molecular Weight260.97 g/mol
Exact Mass260.89
IUPAC Namelithium 4-iodo-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nc(I)cs1.[Li+]
InChIInChI=1S/C4H2INO2S.Li/c5-2-1-9-3(6-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1
InChIKeyMMDOJXBRDATDIE-UHFFFAOYSA-M
XLogP-2.88
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.97
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 4-iodo-1,3-thiazole-2-carboxylate?
The IUPAC name of lithium 4-iodo-1,3-thiazole-2-carboxylate (CID 167730450) is lithium 4-iodo-1,3-thiazole-2-carboxylate.
What is the SMILES notation for lithium 4-iodo-1,3-thiazole-2-carboxylate?
The canonical SMILES for lithium 4-iodo-1,3-thiazole-2-carboxylate is O=C([O-])c1nc(I)cs1.[Li+].
What is the InChIKey of lithium 4-iodo-1,3-thiazole-2-carboxylate?
The InChIKey is MMDOJXBRDATDIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2INO2S.Li/c5-2-1-9-3(6-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 4-iodo-1,3-thiazole-2-carboxylate?
lithium 4-iodo-1,3-thiazole-2-carboxylate has a molecular weight of 260.97 g/mol, XLogP of -2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-iodo-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 167730450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).