4-methyl-3H-1,2-thiazol-3-ide;rhenium

C4H4NReS- — CID 143826507

IUPAC4-methyl-3H-1,2-thiazol-3-ide;rhenium
SMILESCc1[c-]nsc1.[Re]
InChIInChI=1S/C4H4NS.Re/c1-4-2-5-6-3-4;/h3H,1H3;/q-1;
InChIKeyKTPQUFUIGMKCAU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.25
Rot. Bonds

About 4-methyl-3H-1,2-thiazol-3-ide;rhenium

4-methyl-3H-1,2-thiazol-3-ide;rhenium (PubChem CID 143826507) has the molecular formula C4H4NReS- and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methyl-3H-1,2-thiazol-3-ide;rhenium.

Molecular Properties

Compound Name4-methyl-3H-1,2-thiazol-3-ide;rhenium
PubChem CID143826507
Molecular FormulaC4H4NReS-
Molecular Weight284.36 g/mol
Exact Mass284.96
IUPAC Name4-methyl-3H-1,2-thiazol-3-ide;rhenium
SMILESCc1[c-]nsc1.[Re]
InChIInChI=1S/C4H4NS.Re/c1-4-2-5-6-3-4;/h3H,1H3;/q-1;
InChIKeyKTPQUFUIGMKCAU-UHFFFAOYSA-N
XLogP1.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-1,2-thiazol-3-ide;rhenium?
The IUPAC name of 4-methyl-3H-1,2-thiazol-3-ide;rhenium (CID 143826507) is 4-methyl-3H-1,2-thiazol-3-ide;rhenium.
What is the SMILES notation for 4-methyl-3H-1,2-thiazol-3-ide;rhenium?
The canonical SMILES for 4-methyl-3H-1,2-thiazol-3-ide;rhenium is Cc1[c-]nsc1.[Re].
What is the InChIKey of 4-methyl-3H-1,2-thiazol-3-ide;rhenium?
The InChIKey is KTPQUFUIGMKCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NS.Re/c1-4-2-5-6-3-4;/h3H,1H3;/q-1;.
What are the key properties of 4-methyl-3H-1,2-thiazol-3-ide;rhenium?
4-methyl-3H-1,2-thiazol-3-ide;rhenium has a molecular weight of 284.36 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-1,2-thiazol-3-ide;rhenium is sourced from PubChem (CID 143826507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).