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

C12H18N6O4S2 — CID 68612129

IUPAC2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(NN)s1.CCc1nc(C(=O)O)c(NN)s1
InChIInChI=1S/2C6H9N3O2S/c2*1-2-3-8-4(6(10)11)5(9-7)12-3/h2*9H,2,7H2,1H3,(H,10,11)
InChIKeyNFTMMCIBTYBWEH-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.38
Rot. Bonds6

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

2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid (PubChem CID 68612129) has the molecular formula C12H18N6O4S2 and a molecular weight of 374.45 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 CID68612129
Molecular FormulaC12H18N6O4S2
Molecular Weight374.45 g/mol
Exact Mass374.08
IUPAC Name2-ethyl-5-hydrazinyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(NN)s1.CCc1nc(C(=O)O)c(NN)s1
InChIInChI=1S/2C6H9N3O2S/c2*1-2-3-8-4(6(10)11)5(9-7)12-3/h2*9H,2,7H2,1H3,(H,10,11)
InChIKeyNFTMMCIBTYBWEH-UHFFFAOYSA-N
XLogP1.38
TPSA176.48 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 51.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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 68612129) 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.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 NFTMMCIBTYBWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N3O2S/c2*1-2-3-8-4(6(10)11)5(9-7)12-3/h2*9H,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 374.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 6 hydrogen bond donors, and 10 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 68612129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).