3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine

C9H9Cl2N3S — CID 16556187

IUPAC3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine
SMILESClc1cnc(N/N=C2\CCSC2)c(Cl)c1
InChIInChI=1S/C9H9Cl2N3S/c10-6-3-8(11)9(12-4-6)14-13-7-1-2-15-5-7/h3-4H,1-2,5H2,(H,12,14)/b13-7+
InChIKeySDUWJQYQHAFJGE-NTUHNPAUSA-N
MW262.16 g/mol
LogP3.29
Rot. Bonds2

About 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine

3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine (PubChem CID 16556187) has the molecular formula C9H9Cl2N3S and a molecular weight of 262.16 g/mol. Its IUPAC name is 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine
PubChem CID16556187
Molecular FormulaC9H9Cl2N3S
Molecular Weight262.16 g/mol
Exact Mass260.99
IUPAC Name3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine
SMILESClc1cnc(N/N=C2\CCSC2)c(Cl)c1
InChIInChI=1S/C9H9Cl2N3S/c10-6-3-8(11)9(12-4-6)14-13-7-1-2-15-5-7/h3-4H,1-2,5H2,(H,12,14)/b13-7+
InChIKeySDUWJQYQHAFJGE-NTUHNPAUSA-N
XLogP3.29
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,5-dichloropyridin-2-amine
CID 9463576
3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
CID 7987811
3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
CID 159350440
(3,5-dichloro-2-pyridinyl)hydrazine;hydrate
CID 175331134
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol
CID 135836986
3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine
CID 9150352
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 43600403
N'-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]thiomorpholine-4-carboximidamide
CID 111063564
3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine
CID 7256549
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine (CID 16556187) is 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine is Clc1cnc(N/N=C2\CCSC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine?
The InChIKey is SDUWJQYQHAFJGE-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H9Cl2N3S/c10-6-3-8(11)9(12-4-6)14-13-7-1-2-15-5-7/h3-4H,1-2,5H2,(H,12,14)/b13-7+.
What are the key properties of 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine?
3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine has a molecular weight of 262.16 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(E)-thiolan-3-ylideneamino]pyridin-2-amine is sourced from PubChem (CID 16556187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).