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

C8H13N3OS2 — CID 43244797

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide
SMILESCc1nc(CSCCC(=O)NN)cs1
InChIInChI=1S/C8H13N3OS2/c1-6-10-7(5-14-6)4-13-3-2-8(12)11-9/h5H,2-4,9H2,1H3,(H,11,12)
InChIKeyWRJZQGGZHNZFDN-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.06
Rot. Bonds5

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

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide (PubChem CID 43244797) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide
PubChem CID43244797
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide
SMILESCc1nc(CSCCC(=O)NN)cs1
InChIInChI=1S/C8H13N3OS2/c1-6-10-7(5-14-6)4-13-3-2-8(12)11-9/h5H,2-4,9H2,1H3,(H,11,12)
InChIKeyWRJZQGGZHNZFDN-UHFFFAOYSA-N
XLogP1.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide (CID 43244797) is 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide is Cc1nc(CSCCC(=O)NN)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide?
The InChIKey is WRJZQGGZHNZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-6-10-7(5-14-6)4-13-3-2-8(12)11-9/h5H,2-4,9H2,1H3,(H,11,12).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide?
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide has a molecular weight of 231.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide is sourced from PubChem (CID 43244797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).