lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate

C7H9LiN2O3S — CID 138040570

IUPAClithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate
SMILESCOCCNc1ncc(C(=O)[O-])s1.[Li+]
InChIInChI=1S/C7H10N2O3S.Li/c1-12-3-2-8-7-9-4-5(13-7)6(10)11;/h4H,2-3H2,1H3,(H,8,9)(H,10,11);/q;+1/p-1
InChIKeyKRBRQQRLXXJVQE-UHFFFAOYSA-M
MW208.17 g/mol
LogP-3.43
Rot. Bonds5

About lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate

lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate (PubChem CID 138040570) has the molecular formula C7H9LiN2O3S and a molecular weight of 208.17 g/mol. Its IUPAC name is lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namelithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate
PubChem CID138040570
Molecular FormulaC7H9LiN2O3S
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Namelithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate
SMILESCOCCNc1ncc(C(=O)[O-])s1.[Li+]
InChIInChI=1S/C7H10N2O3S.Li/c1-12-3-2-8-7-9-4-5(13-7)6(10)11;/h4H,2-3H2,1H3,(H,8,9)(H,10,11);/q;+1/p-1
InChIKeyKRBRQQRLXXJVQE-UHFFFAOYSA-M
XLogP-3.43
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-3.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate (CID 138040570) is lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate is COCCNc1ncc(C(=O)[O-])s1.[Li+].
What is the InChIKey of lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is KRBRQQRLXXJVQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O3S.Li/c1-12-3-2-8-7-9-4-5(13-7)6(10)11;/h4H,2-3H2,1H3,(H,8,9)(H,10,11);/q;+1/p-1.
What are the key properties of lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate?
lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 208.17 g/mol, XLogP of -3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(2-methoxyethylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 138040570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).