2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate

C6H8N2O2S — CID 42251579

IUPAC2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate
SMILESC[C@@H]([NH3+])c1nc(C(=O)[O-])cs1
InChIInChI=1S/C6H8N2O2S/c1-3(7)5-8-4(2-11-5)6(9)10/h2-3H,7H2,1H3,(H,9,10)/t3-/m1/s1
InChIKeyIZYPOVIPPSQRBI-GSVOUGTGSA-N
MW172.21 g/mol
LogP-1.19
Rot. Bonds2

About 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate

2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate (PubChem CID 42251579) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate
PubChem CID42251579
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate
SMILESC[C@@H]([NH3+])c1nc(C(=O)[O-])cs1
InChIInChI=1S/C6H8N2O2S/c1-3(7)5-8-4(2-11-5)6(9)10/h2-3H,7H2,1H3,(H,9,10)/t3-/m1/s1
InChIKeyIZYPOVIPPSQRBI-GSVOUGTGSA-N
XLogP-1.19
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate (CID 42251579) is 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate is C[C@@H]([NH3+])c1nc(C(=O)[O-])cs1.
What is the InChIKey of 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate?
The InChIKey is IZYPOVIPPSQRBI-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-3(7)5-8-4(2-11-5)6(9)10/h2-3H,7H2,1H3,(H,9,10)/t3-/m1/s1.
What are the key properties of 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate?
2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 172.21 g/mol, XLogP of -1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 42251579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).