(3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C13H16N6OS — CID 105071524

IUPAC(3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNNc1cnccc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H16N6OS/c14-17-11-9-15-2-1-10(11)12(20)18-4-6-19(7-5-18)13-16-3-8-21-13/h1-3,8-9,17H,4-7,14H2
InChIKeyLLSFWXWSAXPPII-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.79
Rot. Bonds3

About (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 105071524) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID105071524
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name(3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNNc1cnccc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H16N6OS/c14-17-11-9-15-2-1-10(11)12(20)18-4-6-19(7-5-18)13-16-3-8-21-13/h1-3,8-9,17H,4-7,14H2
InChIKeyLLSFWXWSAXPPII-UHFFFAOYSA-N
XLogP0.79
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(6-hydrazinylpyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62233763
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 39507528
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 106673919
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 41433639
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
(2-anilinopyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 72914559
(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 74237399
4-(3-hydrazinylpyridine-4-carbonyl)piperazine-2,6-dione
CID 105072287

Frequently Asked Questions

What is the IUPAC name of (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 105071524) is (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is NNc1cnccc1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is LLSFWXWSAXPPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c14-17-11-9-15-2-1-10(11)12(20)18-4-6-19(7-5-18)13-16-3-8-21-13/h1-3,8-9,17H,4-7,14H2.
What are the key properties of (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 304.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydrazinyl-4-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 105071524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).