2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide

C7H11N3OS2 — CID 43236852

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide
SMILESCc1nc(CSCC(=O)NN)cs1
InChIInChI=1S/C7H11N3OS2/c1-5-9-6(3-13-5)2-12-4-7(11)10-8/h3H,2,4,8H2,1H3,(H,10,11)
InChIKeyCUSOTPWZDOFTJK-UHFFFAOYSA-N
MW217.32 g/mol
LogP0.67
Rot. Bonds4

About 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide

2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide (PubChem CID 43236852) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide
PubChem CID43236852
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide
SMILESCc1nc(CSCC(=O)NN)cs1
InChIInChI=1S/C7H11N3OS2/c1-5-9-6(3-13-5)2-12-4-7(11)10-8/h3H,2,4,8H2,1H3,(H,10,11)
InChIKeyCUSOTPWZDOFTJK-UHFFFAOYSA-N
XLogP0.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 50.67
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 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide (CID 43236852) is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide is Cc1nc(CSCC(=O)NN)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide?
The InChIKey is CUSOTPWZDOFTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-5-9-6(3-13-5)2-12-4-7(11)10-8/h3H,2,4,8H2,1H3,(H,10,11).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide?
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide has a molecular weight of 217.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide is sourced from PubChem (CID 43236852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).