4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

C10H13N5O3S — CID 79942412

IUPAC4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCN1CC(=O)N(Cc2csc(C(=O)NN)n2)CC1=O
InChIInChI=1S/C10H13N5O3S/c1-14-3-8(17)15(4-7(14)16)2-6-5-19-10(12-6)9(18)13-11/h5H,2-4,11H2,1H3,(H,13,18)
InChIKeyKQZQZQPWJFNJLE-UHFFFAOYSA-N
MW283.31 g/mol
LogP-1.45
Rot. Bonds3

About 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 79942412) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID79942412
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCN1CC(=O)N(Cc2csc(C(=O)NN)n2)CC1=O
InChIInChI=1S/C10H13N5O3S/c1-14-3-8(17)15(4-7(14)16)2-6-5-19-10(12-6)9(18)13-11/h5H,2-4,11H2,1H3,(H,13,18)
InChIKeyKQZQZQPWJFNJLE-UHFFFAOYSA-N
XLogP-1.45
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-1.45
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'}

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572610
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-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213098
4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63569024
4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 64829448
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115
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-[(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-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 103503789

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 79942412) is 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is CN1CC(=O)N(Cc2csc(C(=O)NN)n2)CC1=O.
What is the InChIKey of 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is KQZQZQPWJFNJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-14-3-8(17)15(4-7(14)16)2-6-5-19-10(12-6)9(18)13-11/h5H,2-4,11H2,1H3,(H,13,18).
What are the key properties of 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 283.31 g/mol, XLogP of -1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 79942412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).