N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide

C8H6N4O2S2 — CID 139226745

IUPACN'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide
SMILESO=C(NNC(=O)c1nccs1)c1nccs1
InChIInChI=1S/C8H6N4O2S2/c13-5(7-9-1-3-15-7)11-12-6(14)8-10-2-4-16-8/h1-4H,(H,11,13)(H,12,14)
InChIKeyJWNNOQHUFVJHJE-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.67
Rot. Bonds2

About N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide

N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 139226745) has the molecular formula C8H6N4O2S2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide
PubChem CID139226745
Molecular FormulaC8H6N4O2S2
Molecular Weight254.30 g/mol
Exact Mass253.99
IUPAC NameN'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide
SMILESO=C(NNC(=O)c1nccs1)c1nccs1
InChIInChI=1S/C8H6N4O2S2/c13-5(7-9-1-3-15-7)11-12-6(14)8-10-2-4-16-8/h1-4H,(H,11,13)(H,12,14)
InChIKeyJWNNOQHUFVJHJE-UHFFFAOYSA-N
XLogP0.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide (CID 139226745) is N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide is O=C(NNC(=O)c1nccs1)c1nccs1.
What is the InChIKey of N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is JWNNOQHUFVJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2S2/c13-5(7-9-1-3-15-7)11-12-6(14)8-10-2-4-16-8/h1-4H,(H,11,13)(H,12,14).
What are the key properties of N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide?
N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 254.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-thiazole-2-carbonyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 139226745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).