N-pyridin-3-ylthietan-2-imine

C8H8N2S — CID 164672061

IUPACN-pyridin-3-ylthietan-2-imine
SMILESc1cncc(/N=C2/CCS2)c1
InChIInChI=1S/C8H8N2S/c1-2-7(6-9-4-1)10-8-3-5-11-8/h1-2,4,6H,3,5H2/b10-8-
InChIKeyLCLMYIPHWLRZLS-NTMALXAHSA-N
MW164.23 g/mol
LogP2.25
Rot. Bonds1

About N-pyridin-3-ylthietan-2-imine

N-pyridin-3-ylthietan-2-imine (PubChem CID 164672061) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-pyridin-3-ylthietan-2-imine.

Molecular Properties

Compound NameN-pyridin-3-ylthietan-2-imine
PubChem CID164672061
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC NameN-pyridin-3-ylthietan-2-imine
SMILESc1cncc(/N=C2/CCS2)c1
InChIInChI=1S/C8H8N2S/c1-2-7(6-9-4-1)10-8-3-5-11-8/h1-2,4,6H,3,5H2/b10-8-
InChIKeyLCLMYIPHWLRZLS-NTMALXAHSA-N
XLogP2.25
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-pyridin-3-ylpiperidin-4-imine
CID 10631510
N'-pyridin-3-ylmethanimidamide
CID 55290401
3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
CID 5055418
1-cyclopropyl-N-pyridin-3-ylmethanimine
CID 67423890
(4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
CID 7110198
butanedioic acid;dipyridin-3-yldiazene
CID 139196676
4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 611991
(5Z)-5-[(2-chlorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135426206
4-ethoxy-2-ethyl-3-methyl-N-pyridin-3-yl-7,8-dihydro-1H-pyrrolo[3,2-c]azepin-6-imine
CID 137071451
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
N-pyridin-3-ylbutan-1-imine
CID 18352171
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylthietan-2-imine?
The IUPAC name of N-pyridin-3-ylthietan-2-imine (CID 164672061) is N-pyridin-3-ylthietan-2-imine.
What is the SMILES notation for N-pyridin-3-ylthietan-2-imine?
The canonical SMILES for N-pyridin-3-ylthietan-2-imine is c1cncc(/N=C2/CCS2)c1.
What is the InChIKey of N-pyridin-3-ylthietan-2-imine?
The InChIKey is LCLMYIPHWLRZLS-NTMALXAHSA-N. The full InChI is InChI=1S/C8H8N2S/c1-2-7(6-9-4-1)10-8-3-5-11-8/h1-2,4,6H,3,5H2/b10-8-.
What are the key properties of N-pyridin-3-ylthietan-2-imine?
N-pyridin-3-ylthietan-2-imine has a molecular weight of 164.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylthietan-2-imine is sourced from PubChem (CID 164672061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).