ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)

C8H6NO2RbS — CID 59110522

IUPACethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)
SMILES[C-]#Cc1nc(C(=O)OCC)cs1.[Rb+]
InChIInChI=1S/C8H6NO2S.Rb/c1-3-7-9-6(5-12-7)8(10)11-4-2;/h5H,4H2,2H3;/q-1;+1
InChIKeyPSVLLCLHOAYNFR-UHFFFAOYSA-N
MW265.68 g/mol
LogP-1.74
Rot. Bonds2

About ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)

ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+) (PubChem CID 59110522) has the molecular formula C8H6NO2RbS and a molecular weight of 265.68 g/mol. Its IUPAC name is ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+).

Molecular Properties

Compound Nameethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)
PubChem CID59110522
Molecular FormulaC8H6NO2RbS
Molecular Weight265.68 g/mol
Exact Mass264.92
IUPAC Nameethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)
SMILES[C-]#Cc1nc(C(=O)OCC)cs1.[Rb+]
InChIInChI=1S/C8H6NO2S.Rb/c1-3-7-9-6(5-12-7)8(10)11-4-2;/h5H,4H2,2H3;/q-1;+1
InChIKeyPSVLLCLHOAYNFR-UHFFFAOYSA-N
XLogP-1.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 5-1.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 78907467
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
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ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
ethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 42111324
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
ethyl 2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 80568319
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
ethyl 2-(methylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422507
ethyl 2-[[3,5-bis[(4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-1,3-thiazole-4-carboxylate
CID 102278062
ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 80569140

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)?
The IUPAC name of ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+) (CID 59110522) is ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+).
What is the SMILES notation for ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)?
The canonical SMILES for ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+) is [C-]#Cc1nc(C(=O)OCC)cs1.[Rb+].
What is the InChIKey of ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)?
The InChIKey is PSVLLCLHOAYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NO2S.Rb/c1-3-7-9-6(5-12-7)8(10)11-4-2;/h5H,4H2,2H3;/q-1;+1.
What are the key properties of ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)?
ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+) has a molecular weight of 265.68 g/mol, XLogP of -1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+) is sourced from PubChem (CID 59110522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).