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

C9H13N5O2S — CID 63569024

IUPAC4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCNC(=O)C2)cs1
InChIInChI=1S/C9H13N5O2S/c10-13-8(16)9-12-6(5-17-9)3-14-2-1-11-7(15)4-14/h5H,1-4,10H2,(H,11,15)(H,13,16)
InChIKeyZUSMZIDOCCFLAO-UHFFFAOYSA-N
MW255.30 g/mol
LogP-1.32
Rot. Bonds3

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

4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63569024) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63569024
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCNC(=O)C2)cs1
InChIInChI=1S/C9H13N5O2S/c10-13-8(16)9-12-6(5-17-9)3-14-2-1-11-7(15)4-14/h5H,1-4,10H2,(H,11,15)(H,13,16)
InChIKeyZUSMZIDOCCFLAO-UHFFFAOYSA-N
XLogP-1.32
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
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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Related Compounds

4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115
4-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55212106
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212834
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572048
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63583716
4-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 107226638
4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63578678
4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572610
4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 79942412
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63979914
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63568492
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 82701792

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 63569024) is 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN2CCNC(=O)C2)cs1.
What is the InChIKey of 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is ZUSMZIDOCCFLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c10-13-8(16)9-12-6(5-17-9)3-14-2-1-11-7(15)4-14/h5H,1-4,10H2,(H,11,15)(H,13,16).
What are the key properties of 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 255.30 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63569024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).