sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate

C7H5N2NaO2S — CID 167733641

IUPACsodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate
SMILESCc1sc2cncn2c1C(=O)[O-].[Na+]
InChIInChI=1S/C7H6N2O2S.Na/c1-4-6(7(10)11)9-3-8-2-5(9)12-4;/h2-3H,1H3,(H,10,11);/q;+1/p-1
InChIKeyOMXZSZYJPQFMFE-UHFFFAOYSA-M
MW204.19 g/mol
LogP-2.93
Rot. Bonds1

About sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate

sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate (PubChem CID 167733641) has the molecular formula C7H5N2NaO2S and a molecular weight of 204.19 g/mol. Its IUPAC name is sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Namesodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate
PubChem CID167733641
Molecular FormulaC7H5N2NaO2S
Molecular Weight204.19 g/mol
Exact Mass204.00
IUPAC Namesodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate
SMILESCc1sc2cncn2c1C(=O)[O-].[Na+]
InChIInChI=1S/C7H6N2O2S.Na/c1-4-6(7(10)11)9-3-8-2-5(9)12-4;/h2-3H,1H3,(H,10,11);/q;+1/p-1
InChIKeyOMXZSZYJPQFMFE-UHFFFAOYSA-M
XLogP-2.93
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate (CID 167733641) is sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate is Cc1sc2cncn2c1C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is OMXZSZYJPQFMFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2O2S.Na/c1-4-6(7(10)11)9-3-8-2-5(9)12-4;/h2-3H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate?
sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 204.19 g/mol, XLogP of -2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylimidazo[5,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 167733641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).