4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)

C7H10NRbS — CID 59985782

IUPAC4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)
SMILESCC(C)(C)c1cs[c-]n1.[Rb+]
InChIInChI=1S/C7H10NS.Rb/c1-7(2,3)6-4-9-5-8-6;/h4H,1-3H3;/q-1;+1
InChIKeyANMXIECLAUICLC-UHFFFAOYSA-N
MW225.70 g/mol
LogP-0.76
Rot. Bonds

About 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)

4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+) (PubChem CID 59985782) has the molecular formula C7H10NRbS and a molecular weight of 225.70 g/mol. Its IUPAC name is 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+).

Molecular Properties

Compound Name4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)
PubChem CID59985782
Molecular FormulaC7H10NRbS
Molecular Weight225.70 g/mol
Exact Mass224.97
IUPAC Name4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)
SMILESCC(C)(C)c1cs[c-]n1.[Rb+]
InChIInChI=1S/C7H10NS.Rb/c1-7(2,3)6-4-9-5-8-6;/h4H,1-3H3;/q-1;+1
InChIKeyANMXIECLAUICLC-UHFFFAOYSA-N
XLogP-0.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 5-0.76
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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Related Compounds

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3-tert-butyl-1,2,5-thiadiazole
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CID 117106930
4-tert-butyl-2-methylthiadiazol-2-ium tetrafluoroborate
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4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole
CID 69116242
4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole
CID 104791114
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
(4-tert-butyl-1,3-thiazol-2-yl)cyanamide
CID 27060536
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78943718

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)?
The IUPAC name of 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+) (CID 59985782) is 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+).
What is the SMILES notation for 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)?
The canonical SMILES for 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+) is CC(C)(C)c1cs[c-]n1.[Rb+].
What is the InChIKey of 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)?
The InChIKey is ANMXIECLAUICLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NS.Rb/c1-7(2,3)6-4-9-5-8-6;/h4H,1-3H3;/q-1;+1.
What are the key properties of 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)?
4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+) has a molecular weight of 225.70 g/mol, XLogP of -0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+) is sourced from PubChem (CID 59985782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).