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

C9H12N4O2S — CID 63572610

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCCC2=O)cs1
InChIInChI=1S/C9H12N4O2S/c10-12-8(15)9-11-6(5-16-9)4-13-3-1-2-7(13)14/h5H,1-4,10H2,(H,12,15)
InChIKeyKVWWJRLLWILMDT-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.13
Rot. Bonds3

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

4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63572610) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63572610
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCCC2=O)cs1
InChIInChI=1S/C9H12N4O2S/c10-12-8(15)9-11-6(5-16-9)4-13-3-1-2-7(13)14/h5H,1-4,10H2,(H,12,15)
InChIKeyKVWWJRLLWILMDT-UHFFFAOYSA-N
XLogP-0.13
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572048
4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63578678
4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 79942412
4-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 107226638
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 103503789
4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63569024
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136
4-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55212106
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212834
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63583716
4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213098

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 63572610) is 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN2CCCC2=O)cs1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is KVWWJRLLWILMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c10-12-8(15)9-11-6(5-16-9)4-13-3-1-2-7(13)14/h5H,1-4,10H2,(H,12,15).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 240.29 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63572610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).