5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid

C6H8N2O2S — CID 67421917

IUPAC5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(N)s1
InChIInChI=1S/C6H8N2O2S/c1-2-3-8-4(6(9)10)5(7)11-3/h2,7H2,1H3,(H,9,10)
InChIKeyZSSOPRDKTBJRQJ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.99
Rot. Bonds2

About 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid

5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 67421917) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID67421917
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(N)s1
InChIInChI=1S/C6H8N2O2S/c1-2-3-8-4(6(9)10)5(7)11-3/h2,7H2,1H3,(H,9,10)
InChIKeyZSSOPRDKTBJRQJ-UHFFFAOYSA-N
XLogP0.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid (CID 67421917) is 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid is CCc1nc(C(=O)O)c(N)s1.
What is the InChIKey of 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZSSOPRDKTBJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-3-8-4(6(9)10)5(7)11-3/h2,7H2,1H3,(H,9,10).
What are the key properties of 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid?
5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 172.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 67421917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).