sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate

C5H7N2NaO2S — CID 23674650

IUPACsodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
SMILESNC1=NC(CC(=O)[O-])CS1.[Na+]
InChIInChI=1S/C5H8N2O2S.Na/c6-5-7-3(2-10-5)1-4(8)9;/h3H,1-2H2,(H2,6,7)(H,8,9);/q;+1/p-1
InChIKeyJTUWZJCVIPBUSJ-UHFFFAOYSA-M
MW182.18 g/mol
LogP-4.44
Rot. Bonds2

About sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate

sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate (PubChem CID 23674650) has the molecular formula C5H7N2NaO2S and a molecular weight of 182.18 g/mol. Its IUPAC name is sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namesodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
PubChem CID23674650
Molecular FormulaC5H7N2NaO2S
Molecular Weight182.18 g/mol
Exact Mass182.01
IUPAC Namesodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
SMILESNC1=NC(CC(=O)[O-])CS1.[Na+]
InChIInChI=1S/C5H8N2O2S.Na/c6-5-7-3(2-10-5)1-4(8)9;/h3H,1-2H2,(H2,6,7)(H,8,9);/q;+1/p-1
InChIKeyJTUWZJCVIPBUSJ-UHFFFAOYSA-M
XLogP-4.44
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-4.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The IUPAC name of sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate (CID 23674650) is sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The canonical SMILES for sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate is NC1=NC(CC(=O)[O-])CS1.[Na+].
What is the InChIKey of sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The InChIKey is JTUWZJCVIPBUSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N2O2S.Na/c6-5-7-3(2-10-5)1-4(8)9;/h3H,1-2H2,(H2,6,7)(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate?
sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate has a molecular weight of 182.18 g/mol, XLogP of -4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 23674650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).