5-chloro-1,2-thiazole-3,4-dicarbohydrazide

C5H6ClN5O2S — CID 174710009

IUPAC5-chloro-1,2-thiazole-3,4-dicarbohydrazide
SMILESNNC(=O)c1nsc(Cl)c1C(=O)NN
InChIInChI=1S/C5H6ClN5O2S/c6-3-1(4(12)9-7)2(11-14-3)5(13)10-8/h7-8H2,(H,9,12)(H,10,13)
InChIKeyKKERYSWSFXKZNR-UHFFFAOYSA-N
MW235.66 g/mol
LogP-1.00
Rot. Bonds2

About 5-chloro-1,2-thiazole-3,4-dicarbohydrazide

5-chloro-1,2-thiazole-3,4-dicarbohydrazide (PubChem CID 174710009) has the molecular formula C5H6ClN5O2S and a molecular weight of 235.66 g/mol. Its IUPAC name is 5-chloro-1,2-thiazole-3,4-dicarbohydrazide.

Molecular Properties

Compound Name5-chloro-1,2-thiazole-3,4-dicarbohydrazide
PubChem CID174710009
Molecular FormulaC5H6ClN5O2S
Molecular Weight235.66 g/mol
Exact Mass234.99
IUPAC Name5-chloro-1,2-thiazole-3,4-dicarbohydrazide
SMILESNNC(=O)c1nsc(Cl)c1C(=O)NN
InChIInChI=1S/C5H6ClN5O2S/c6-3-1(4(12)9-7)2(11-14-3)5(13)10-8/h7-8H2,(H,9,12)(H,10,13)
InChIKeyKKERYSWSFXKZNR-UHFFFAOYSA-N
XLogP-1.00
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 5-chloro-1,2-thiazole-3,4-dicarbohydrazide?
The IUPAC name of 5-chloro-1,2-thiazole-3,4-dicarbohydrazide (CID 174710009) is 5-chloro-1,2-thiazole-3,4-dicarbohydrazide.
What is the SMILES notation for 5-chloro-1,2-thiazole-3,4-dicarbohydrazide?
The canonical SMILES for 5-chloro-1,2-thiazole-3,4-dicarbohydrazide is NNC(=O)c1nsc(Cl)c1C(=O)NN.
What is the InChIKey of 5-chloro-1,2-thiazole-3,4-dicarbohydrazide?
The InChIKey is KKERYSWSFXKZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN5O2S/c6-3-1(4(12)9-7)2(11-14-3)5(13)10-8/h7-8H2,(H,9,12)(H,10,13).
What are the key properties of 5-chloro-1,2-thiazole-3,4-dicarbohydrazide?
5-chloro-1,2-thiazole-3,4-dicarbohydrazide has a molecular weight of 235.66 g/mol, XLogP of -1.00, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-thiazole-3,4-dicarbohydrazide is sourced from PubChem (CID 174710009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).