2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid

C6H8N2O2S — CID 105435093

IUPAC2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid
SMILESNCCc1ncc(C(=O)O)s1
InChIInChI=1S/C6H8N2O2S/c7-2-1-5-8-3-4(11-5)6(9)10/h3H,1-2,7H2,(H,9,10)
InChIKeyNOVNPVXDIMBTSR-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.34
Rot. Bonds3

About 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid

2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 105435093) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID105435093
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid
SMILESNCCc1ncc(C(=O)O)s1
InChIInChI=1S/C6H8N2O2S/c7-2-1-5-8-3-4(11-5)6(9)10/h3H,1-2,7H2,(H,9,10)
InChIKeyNOVNPVXDIMBTSR-UHFFFAOYSA-N
XLogP0.34
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid (CID 105435093) is 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid is NCCc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NOVNPVXDIMBTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-2-1-5-8-3-4(11-5)6(9)10/h3H,1-2,7H2,(H,9,10).
What are the key properties of 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid?
2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 172.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 105435093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).