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

C11H18N4O2S — CID 81116115

IUPAC4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC1(O)CCN(Cc2csc(C(=O)NN)n2)CC1
InChIInChI=1S/C11H18N4O2S/c1-11(17)2-4-15(5-3-11)6-8-7-18-10(13-8)9(16)14-12/h7,17H,2-6,12H2,1H3,(H,14,16)
InChIKeyDOIJQGUTBXKUJS-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.09
Rot. Bonds3

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

4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 81116115) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID81116115
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC1(O)CCN(Cc2csc(C(=O)NN)n2)CC1
InChIInChI=1S/C11H18N4O2S/c1-11(17)2-4-15(5-3-11)6-8-7-18-10(13-8)9(16)14-12/h7,17H,2-6,12H2,1H3,(H,14,16)
InChIKeyDOIJQGUTBXKUJS-UHFFFAOYSA-N
XLogP0.09
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.09
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'}

Analyze 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63583716
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-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 107226638
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63979914
4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63569024
4-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55212685
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 82701792
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63568492
4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 64829448
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572048
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 81116115) is 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is CC1(O)CCN(Cc2csc(C(=O)NN)n2)CC1.
What is the InChIKey of 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is DOIJQGUTBXKUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(17)2-4-15(5-3-11)6-8-7-18-10(13-8)9(16)14-12/h7,17H,2-6,12H2,1H3,(H,14,16).
What are the key properties of 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 270.36 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 81116115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).