(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone

C11H15ClN4OS — CID 62242607

IUPAC(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
SMILESNNc1cc(C(=O)N2CCCSCC2)cc(Cl)n1
InChIInChI=1S/C11H15ClN4OS/c12-9-6-8(7-10(14-9)15-13)11(17)16-2-1-4-18-5-3-16/h6-7H,1-5,13H2,(H,14,15)
InChIKeyWVGSYENOZAKXSF-UHFFFAOYSA-N
MW286.79 g/mol
LogP1.60
Rot. Bonds2

About (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone

(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone (PubChem CID 62242607) has the molecular formula C11H15ClN4OS and a molecular weight of 286.79 g/mol. Its IUPAC name is (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
PubChem CID62242607
Molecular FormulaC11H15ClN4OS
Molecular Weight286.79 g/mol
Exact Mass286.07
IUPAC Name(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
SMILESNNc1cc(C(=O)N2CCCSCC2)cc(Cl)n1
InChIInChI=1S/C11H15ClN4OS/c12-9-6-8(7-10(14-9)15-13)11(17)16-2-1-4-18-5-3-16/h6-7H,1-5,13H2,(H,14,15)
InChIKeyWVGSYENOZAKXSF-UHFFFAOYSA-N
XLogP1.60
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
CID 62243993
(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65286839
(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968195
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62243807
2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
CID 106327248
(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 62156377
(6-amino-5-chloro-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 55042155
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061599
[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 113378982
(4-amino-3-chloro-5-nitrophenyl)-(1,4-thiazepan-4-yl)methanone
CID 62187353
[4-(2,6-dichloropyridine-4-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 78878529

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone?
The IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone (CID 62242607) is (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone?
The canonical SMILES for (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone is NNc1cc(C(=O)N2CCCSCC2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone?
The InChIKey is WVGSYENOZAKXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4OS/c12-9-6-8(7-10(14-9)15-13)11(17)16-2-1-4-18-5-3-16/h6-7H,1-5,13H2,(H,14,15).
What are the key properties of (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone?
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone has a molecular weight of 286.79 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 62242607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).