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

C6H9N3OS2 — CID 63581813

IUPAC4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCSCc1csc(C(=O)NN)n1
InChIInChI=1S/C6H9N3OS2/c1-11-2-4-3-12-6(8-4)5(10)9-7/h3H,2,7H2,1H3,(H,9,10)
InChIKeyQJMRSULVLWTSPC-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.61
Rot. Bonds3

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

4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63581813) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63581813
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC Name4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCSCc1csc(C(=O)NN)n1
InChIInChI=1S/C6H9N3OS2/c1-11-2-4-3-12-6(8-4)5(10)9-7/h3H,2,7H2,1H3,(H,9,10)
InChIKeyQJMRSULVLWTSPC-UHFFFAOYSA-N
XLogP0.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (CID 63581813) is 4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is CSCc1csc(C(=O)NN)n1.
What is the InChIKey of 4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is QJMRSULVLWTSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c1-11-2-4-3-12-6(8-4)5(10)9-7/h3H,2,7H2,1H3,(H,9,10).
What are the key properties of 4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 203.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63581813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).