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

C12H18N6O4S2 — CID 68612130

IUPACethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)c1ncsc1NN.CCc1nc(C(=O)O)c(NN)s1
InChIInChI=1S/2C6H9N3O2S/c1-2-11-6(10)4-5(9-7)12-3-8-4;1-2-3-8-4(6(10)11)5(9-7)12-3/h3,9H,2,7H2,1H3;9H,2,7H2,1H3,(H,10,11)
InChIKeyFDFDGUBAMLOWDW-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.29
Rot. Bonds6

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

ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid (PubChem CID 68612130) has the molecular formula C12H18N6O4S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Nameethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid
PubChem CID68612130
Molecular FormulaC12H18N6O4S2
Molecular Weight374.45 g/mol
Exact Mass374.08
IUPAC Nameethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)c1ncsc1NN.CCc1nc(C(=O)O)c(NN)s1
InChIInChI=1S/2C6H9N3O2S/c1-2-11-6(10)4-5(9-7)12-3-8-4;1-2-3-8-4(6(10)11)5(9-7)12-3/h3,9H,2,7H2,1H3;9H,2,7H2,1H3,(H,10,11)
InChIKeyFDFDGUBAMLOWDW-UHFFFAOYSA-N
XLogP1.29
TPSA165.48 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 51.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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 ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid (CID 68612130) is ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid is CCOC(=O)c1ncsc1NN.CCc1nc(C(=O)O)c(NN)s1.
What is the InChIKey of ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FDFDGUBAMLOWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N3O2S/c1-2-11-6(10)4-5(9-7)12-3-8-4;1-2-3-8-4(6(10)11)5(9-7)12-3/h3,9H,2,7H2,1H3;9H,2,7H2,1H3,(H,10,11).
What are the key properties of ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid?
ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 374.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate;2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 68612130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).