4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide

C8H10N4O2S2 — CID 63578678

IUPAC4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCSC2=O)cs1
InChIInChI=1S/C8H10N4O2S2/c9-11-6(13)7-10-5(4-16-7)3-12-1-2-15-8(12)14/h4H,1-3,9H2,(H,11,13)
InChIKeySGFDNMCJKVJAOH-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.42
Rot. Bonds3

About 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63578678) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63578678
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCSC2=O)cs1
InChIInChI=1S/C8H10N4O2S2/c9-11-6(13)7-10-5(4-16-7)3-12-1-2-15-8(12)14/h4H,1-3,9H2,(H,11,13)
InChIKeySGFDNMCJKVJAOH-UHFFFAOYSA-N
XLogP0.42
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-(4-Fluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121303668
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212279
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55215204
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583366
4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585009
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585223
4-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 65545516
4-[[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide
CID 81311109
4-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 107493157
4-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 113966181
4-[[2,2-Difluoroethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 116318479

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 63578678) is 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN2CCSC2=O)cs1.
What is the InChIKey of 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is SGFDNMCJKVJAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c9-11-6(13)7-10-5(4-16-7)3-12-1-2-15-8(12)14/h4H,1-3,9H2,(H,11,13).
What are the key properties of 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 258.33 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63578678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).