3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide

C6H9N3OS2 — CID 63581997

IUPAC3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide
SMILESNNC(=O)CCSc1nccs1
InChIInChI=1S/C6H9N3OS2/c7-9-5(10)1-3-11-6-8-2-4-12-6/h2,4H,1,3,7H2,(H,9,10)
InChIKeyASMRFDYFDKSGKK-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.62
Rot. Bonds4

About 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide

3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide (PubChem CID 63581997) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide
PubChem CID63581997
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC Name3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide
SMILESNNC(=O)CCSc1nccs1
InChIInChI=1S/C6H9N3OS2/c7-9-5(10)1-3-11-6-8-2-4-12-6/h2,4H,1,3,7H2,(H,9,10)
InChIKeyASMRFDYFDKSGKK-UHFFFAOYSA-N
XLogP0.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide
CID 63581257
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
CID 63582849
methyl 2-amino-4-(1,3-thiazol-2-ylsulfanyl)butanoate
CID 63034527
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide
CID 63034358
N-(3-amino-4-fluorophenyl)-4-(1,3-thiazol-2-ylsulfanyl)butanamide
CID 61218731
3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
CID 63582535
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide
CID 63737003
2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111465994
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 60658748
methyl 2-amino-2-phenyl-4-(1,3-thiazol-2-ylsulfanyl)butanoate
CID 116694693

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide?
The IUPAC name of 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide (CID 63581997) is 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide.
What is the SMILES notation for 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide?
The canonical SMILES for 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide is NNC(=O)CCSc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide?
The InChIKey is ASMRFDYFDKSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c7-9-5(10)1-3-11-6-8-2-4-12-6/h2,4H,1,3,7H2,(H,9,10).
What are the key properties of 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide?
3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide has a molecular weight of 203.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide is sourced from PubChem (CID 63581997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).