[(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite

C12H11FN4S — CID 144529612

IUPAC[(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite
SMILES[H]/N=C(\C)c1cc(-c2cccnc2)ncc1NSF
InChIInChI=1S/C12H11FN4S/c1-8(14)10-5-11(9-3-2-4-15-6-9)16-7-12(10)17-18-13/h2-7,14,17H,1H3/b14-8+
InChIKeyLVRYOZGUXWEEMS-RIYZIHGNSA-N
MW262.31 g/mol
LogP3.48
Rot. Bonds4

About [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite

[(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite (PubChem CID 144529612) has the molecular formula C12H11FN4S and a molecular weight of 262.31 g/mol. Its IUPAC name is [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite.

Molecular Properties

Compound Name[(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite
PubChem CID144529612
Molecular FormulaC12H11FN4S
Molecular Weight262.31 g/mol
Exact Mass262.07
IUPAC Name[(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite
SMILES[H]/N=C(\C)c1cc(-c2cccnc2)ncc1NSF
InChIInChI=1S/C12H11FN4S/c1-8(14)10-5-11(9-3-2-4-15-6-9)16-7-12(10)17-18-13/h2-7,14,17H,1H3/b14-8+
InChIKeyLVRYOZGUXWEEMS-RIYZIHGNSA-N
XLogP3.48
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[4-(5-bromo-6-fluoropyridine-2-carboximidoyl)-6-pyridin-3-yl-3-pyridinyl]amino] thiohypofluorite
CID 144529564
4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
CID 134289638
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
CID 144529536
5-methyl-2-pyridin-3-ylpyridine-4-carbonyl chloride
CID 163503116
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate
CID 137027827
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131869932
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
CID 144529500

Frequently Asked Questions

What is the IUPAC name of [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite?
The IUPAC name of [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite (CID 144529612) is [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite.
What is the SMILES notation for [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite?
The canonical SMILES for [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite is [H]/N=C(\C)c1cc(-c2cccnc2)ncc1NSF.
What is the InChIKey of [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite?
The InChIKey is LVRYOZGUXWEEMS-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11FN4S/c1-8(14)10-5-11(9-3-2-4-15-6-9)16-7-12(10)17-18-13/h2-7,14,17H,1H3/b14-8+.
What are the key properties of [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite?
[(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite has a molecular weight of 262.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite is sourced from PubChem (CID 144529612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).