4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide

C10H12N4O2S2 — CID 55213098

IUPAC4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1sc(=O)n(Cc2csc(C(=O)NN)n2)c1C
InChIInChI=1S/C10H12N4O2S2/c1-5-6(2)18-10(16)14(5)3-7-4-17-9(12-7)8(15)13-11/h4H,3,11H2,1-2H3,(H,13,15)
InChIKeyAYIYRXPCRHHWGR-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.63
Rot. Bonds3

About 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 55213098) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID55213098
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1sc(=O)n(Cc2csc(C(=O)NN)n2)c1C
InChIInChI=1S/C10H12N4O2S2/c1-5-6(2)18-10(16)14(5)3-7-4-17-9(12-7)8(15)13-11/h4H,3,11H2,1-2H3,(H,13,15)
InChIKeyAYIYRXPCRHHWGR-UHFFFAOYSA-N
XLogP0.63
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 55213098) is 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide is Cc1sc(=O)n(Cc2csc(C(=O)NN)n2)c1C.
What is the InChIKey of 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is AYIYRXPCRHHWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-5-6(2)18-10(16)14(5)3-7-4-17-9(12-7)8(15)13-11/h4H,3,11H2,1-2H3,(H,13,15).
What are the key properties of 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 284.37 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 55213098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).