(4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone

C11H16N4OS — CID 81256301

IUPAC(4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone
SMILESNNc1ccncc1C(=O)N1CCCSCC1
InChIInChI=1S/C11H16N4OS/c12-14-10-2-3-13-8-9(10)11(16)15-4-1-6-17-7-5-15/h2-3,8H,1,4-7,12H2,(H,13,14)
InChIKeyWEEOECTVDNKAQR-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.95
Rot. Bonds2

About (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone

(4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone (PubChem CID 81256301) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name(4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone
PubChem CID81256301
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name(4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone
SMILESNNc1ccncc1C(=O)N1CCCSCC1
InChIInChI=1S/C11H16N4OS/c12-14-10-2-3-13-8-9(10)11(16)15-4-1-6-17-7-5-15/h2-3,8H,1,4-7,12H2,(H,13,14)
InChIKeyWEEOECTVDNKAQR-UHFFFAOYSA-N
XLogP0.95
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
(5-amino-1H-pyrazol-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 61423629
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(4-hydrazinyl-3-pyridinyl)methanone
CID 81255607
2-(1,4-thiazepane-4-carbonyl)benzoic acid
CID 61419510
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone
CID 104968881
4-(4-hydrazinylpyridine-3-carbonyl)morpholine-2-carbonitrile
CID 81249144
(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105072063
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 106673919
(3-amino-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 112575733
(2-amino-4-bromophenyl)-(1,4-thiazepan-4-yl)methanone
CID 79722119
azetidin-1-yl-(3-iodo-4-pyridinyl)methanone
CID 130650791

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone?
The IUPAC name of (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone (CID 81256301) is (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone?
The canonical SMILES for (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone is NNc1ccncc1C(=O)N1CCCSCC1.
What is the InChIKey of (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone?
The InChIKey is WEEOECTVDNKAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c12-14-10-2-3-13-8-9(10)11(16)15-4-1-6-17-7-5-15/h2-3,8H,1,4-7,12H2,(H,13,14).
What are the key properties of (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone?
(4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone has a molecular weight of 252.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 81256301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).