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

C6H9N3O2S — CID 67423009

IUPAC2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(NN)s1
InChIInChI=1S/C6H9N3O2S/c1-2-3-8-4(6(10)11)5(9-7)12-3/h9H,2,7H2,1H3,(H,10,11)
InChIKeyCVJPKDLOSIXNKN-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.69
Rot. Bonds3

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

2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid (PubChem CID 67423009) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid
PubChem CID67423009
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(NN)s1
InChIInChI=1S/C6H9N3O2S/c1-2-3-8-4(6(10)11)5(9-7)12-3/h9H,2,7H2,1H3,(H,10,11)
InChIKeyCVJPKDLOSIXNKN-UHFFFAOYSA-N
XLogP0.69
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid (CID 67423009) is 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid is CCc1nc(C(=O)O)c(NN)s1.
What is the InChIKey of 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is CVJPKDLOSIXNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-3-8-4(6(10)11)5(9-7)12-3/h9H,2,7H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid?
2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 67423009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).