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

C12H20N4O3S — CID 82701792

IUPAC4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCC(OCCO)CC2)cs1
InChIInChI=1S/C12H20N4O3S/c13-15-11(18)12-14-9(8-20-12)7-16-3-1-10(2-4-16)19-6-5-17/h8,10,17H,1-7,13H2,(H,15,18)
InChIKeyQMNDUHJEHYENPD-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.28
Rot. Bonds6

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

4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 82701792) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID82701792
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCC(OCCO)CC2)cs1
InChIInChI=1S/C12H20N4O3S/c13-15-11(18)12-14-9(8-20-12)7-16-3-1-10(2-4-16)19-6-5-17/h8,10,17H,1-7,13H2,(H,15,18)
InChIKeyQMNDUHJEHYENPD-UHFFFAOYSA-N
XLogP-0.28
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212834
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63979914
4-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55212106
4-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 107226638
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115
4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63588142
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63583716
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 103198388
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63568492
4-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63569024

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide (CID 82701792) is 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN2CCC(OCCO)CC2)cs1.
What is the InChIKey of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is QMNDUHJEHYENPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c13-15-11(18)12-14-9(8-20-12)7-16-3-1-10(2-4-16)19-6-5-17/h8,10,17H,1-7,13H2,(H,15,18).
What are the key properties of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 300.38 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 82701792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).