4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide

C8H13N3O3S2 — CID 82429378

IUPAC4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
SMILESCCc1nc(CS(C)(=O)=O)sc1C(=O)NN
InChIInChI=1S/C8H13N3O3S2/c1-3-5-7(8(12)11-9)15-6(10-5)4-16(2,13)14/h3-4,9H2,1-2H3,(H,11,12)
InChIKeyXSIWTQYSEFFYTN-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.15
Rot. Bonds4

About 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide

4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82429378) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
PubChem CID82429378
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC Name4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
SMILESCCc1nc(CS(C)(=O)=O)sc1C(=O)NN
InChIInChI=1S/C8H13N3O3S2/c1-3-5-7(8(12)11-9)15-6(10-5)4-16(2,13)14/h3-4,9H2,1-2H3,(H,11,12)
InChIKeyXSIWTQYSEFFYTN-UHFFFAOYSA-N
XLogP-0.15
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide (CID 82429378) is 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide is CCc1nc(CS(C)(=O)=O)sc1C(=O)NN.
What is the InChIKey of 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is XSIWTQYSEFFYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c1-3-5-7(8(12)11-9)15-6(10-5)4-16(2,13)14/h3-4,9H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide?
4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 263.34 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82429378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).