4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

C8H13N3O2S2 — CID 63580298

IUPAC4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCOCCSCc1csc(C(=O)NN)n1
InChIInChI=1S/C8H13N3O2S2/c1-13-2-3-14-4-6-5-15-8(10-6)7(12)11-9/h5H,2-4,9H2,1H3,(H,11,12)
InChIKeyBEXHXSHUEDVMLC-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.63
Rot. Bonds6

About 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63580298) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63580298
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCOCCSCc1csc(C(=O)NN)n1
InChIInChI=1S/C8H13N3O2S2/c1-13-2-3-14-4-6-5-15-8(10-6)7(12)11-9/h5H,2-4,9H2,1H3,(H,11,12)
InChIKeyBEXHXSHUEDVMLC-UHFFFAOYSA-N
XLogP0.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (CID 63580298) is 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is COCCSCc1csc(C(=O)NN)n1.
What is the InChIKey of 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is BEXHXSHUEDVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-13-2-3-14-4-6-5-15-8(10-6)7(12)11-9/h5H,2-4,9H2,1H3,(H,11,12).
What are the key properties of 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 247.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63580298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).