sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate

C5H3ClNNaO2S — CID 119032028

IUPACsodium 2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESO=C([O-])Cc1ncc(Cl)s1.[Na+]
InChIInChI=1S/C5H4ClNO2S.Na/c6-3-2-7-4(10-3)1-5(8)9;/h2H,1H2,(H,8,9);/q;+1/p-1
InChIKeyRGHMQUDZFCTFPI-UHFFFAOYSA-M
MW199.59 g/mol
LogP-2.91
Rot. Bonds2

About sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate

sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate (PubChem CID 119032028) has the molecular formula C5H3ClNNaO2S and a molecular weight of 199.59 g/mol. Its IUPAC name is sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namesodium 2-(5-chloro-1,3-thiazol-2-yl)acetate
PubChem CID119032028
Molecular FormulaC5H3ClNNaO2S
Molecular Weight199.59 g/mol
Exact Mass198.95
IUPAC Namesodium 2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESO=C([O-])Cc1ncc(Cl)s1.[Na+]
InChIInChI=1S/C5H4ClNO2S.Na/c6-3-2-7-4(10-3)1-5(8)9;/h2H,1H2,(H,8,9);/q;+1/p-1
InChIKeyRGHMQUDZFCTFPI-UHFFFAOYSA-M
XLogP-2.91
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 5-2.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate?
The IUPAC name of sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate (CID 119032028) is sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate?
The canonical SMILES for sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate is O=C([O-])Cc1ncc(Cl)s1.[Na+].
What is the InChIKey of sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate?
The InChIKey is RGHMQUDZFCTFPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4ClNO2S.Na/c6-3-2-7-4(10-3)1-5(8)9;/h2H,1H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate?
sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate has a molecular weight of 199.59 g/mol, XLogP of -2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 119032028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).