5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide

C12H21N5OS — CID 63568871

IUPAC5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide
SMILESNNC(=O)CCCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C12H21N5OS/c13-15-11(18)3-1-2-5-16-6-8-17(9-7-16)12-14-4-10-19-12/h4,10H,1-3,5-9,13H2,(H,15,18)
InChIKeyALMWKSZFRVTJPF-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.43
Rot. Bonds6

About 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide

5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide (PubChem CID 63568871) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide.

Molecular Properties

Compound Name5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide
PubChem CID63568871
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide
SMILESNNC(=O)CCCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C12H21N5OS/c13-15-11(18)3-1-2-5-16-6-8-17(9-7-16)12-14-4-10-19-12/h4,10H,1-3,5-9,13H2,(H,15,18)
InChIKeyALMWKSZFRVTJPF-UHFFFAOYSA-N
XLogP0.43
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonic acid
CID 88596257
ethyl 4-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetyl]amino]butanoate
CID 86915626
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 62569125
N'-[4-(4-methylpiperazin-1-yl)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111060215
2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide
CID 65250704
methyl 2-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]but-2-enoate
CID 77074608
5-(4-propylpiperazin-1-yl)pentanehydrazide
CID 63568646
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 29082664

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide?
The IUPAC name of 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide (CID 63568871) is 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide.
What is the SMILES notation for 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide?
The canonical SMILES for 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide is NNC(=O)CCCCN1CCN(c2nccs2)CC1.
What is the InChIKey of 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide?
The InChIKey is ALMWKSZFRVTJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c13-15-11(18)3-1-2-5-16-6-8-17(9-7-16)12-14-4-10-19-12/h4,10H,1-3,5-9,13H2,(H,15,18).
What are the key properties of 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide?
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide has a molecular weight of 283.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide is sourced from PubChem (CID 63568871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).