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

C8H13N3OS2 — CID 63582113

IUPAC4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCCCSCc1csc(C(=O)NN)n1
InChIInChI=1S/C8H13N3OS2/c1-2-3-13-4-6-5-14-8(10-6)7(12)11-9/h5H,2-4,9H2,1H3,(H,11,12)
InChIKeyALZQHSSQTFYEPG-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.39
Rot. Bonds5

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

4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63582113) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63582113
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCCCSCc1csc(C(=O)NN)n1
InChIInChI=1S/C8H13N3OS2/c1-2-3-13-4-6-5-14-8(10-6)7(12)11-9/h5H,2-4,9H2,1H3,(H,11,12)
InChIKeyALZQHSSQTFYEPG-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (CID 63582113) is 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is CCCSCc1csc(C(=O)NN)n1.
What is the InChIKey of 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is ALZQHSSQTFYEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-2-3-13-4-6-5-14-8(10-6)7(12)11-9/h5H,2-4,9H2,1H3,(H,11,12).
What are the key properties of 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 231.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63582113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).