1,3-thiazole-5-carbothiohydrazide

C4H5N3S2 — CID 88657254

IUPAC1,3-thiazole-5-carbothiohydrazide
SMILESNNC(=S)c1cncs1
InChIInChI=1S/C4H5N3S2/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8)
InChIKeyYQDGHRJUTUYYEB-UHFFFAOYSA-N
MW159.24 g/mol
LogP0.28
Rot. Bonds1

About 1,3-thiazole-5-carbothiohydrazide

1,3-thiazole-5-carbothiohydrazide (PubChem CID 88657254) has the molecular formula C4H5N3S2 and a molecular weight of 159.24 g/mol. Its IUPAC name is 1,3-thiazole-5-carbothiohydrazide.

Molecular Properties

Compound Name1,3-thiazole-5-carbothiohydrazide
PubChem CID88657254
Molecular FormulaC4H5N3S2
Molecular Weight159.24 g/mol
Exact Mass158.99
IUPAC Name1,3-thiazole-5-carbothiohydrazide
SMILESNNC(=S)c1cncs1
InChIInChI=1S/C4H5N3S2/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8)
InChIKeyYQDGHRJUTUYYEB-UHFFFAOYSA-N
XLogP0.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-5-carbothiohydrazide?
The IUPAC name of 1,3-thiazole-5-carbothiohydrazide (CID 88657254) is 1,3-thiazole-5-carbothiohydrazide.
What is the SMILES notation for 1,3-thiazole-5-carbothiohydrazide?
The canonical SMILES for 1,3-thiazole-5-carbothiohydrazide is NNC(=S)c1cncs1.
What is the InChIKey of 1,3-thiazole-5-carbothiohydrazide?
The InChIKey is YQDGHRJUTUYYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S2/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8).
What are the key properties of 1,3-thiazole-5-carbothiohydrazide?
1,3-thiazole-5-carbothiohydrazide has a molecular weight of 159.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-5-carbothiohydrazide is sourced from PubChem (CID 88657254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).