N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide

C12H16N4OS — CID 6509867

IUPACN-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide
SMILESC/C(=N/NC(=S)N1CCOCC1)c1ccccn1
InChIInChI=1S/C12H16N4OS/c1-10(11-4-2-3-5-13-11)14-15-12(18)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3,(H,15,18)/b14-10-
InChIKeyFIGPFUPBRRMVLZ-UVTDQMKNSA-N
MW264.35 g/mol
LogP1.01
Rot. Bonds2

About N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide

N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide (PubChem CID 6509867) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide
PubChem CID6509867
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide
SMILESC/C(=N/NC(=S)N1CCOCC1)c1ccccn1
InChIInChI=1S/C12H16N4OS/c1-10(11-4-2-3-5-13-11)14-15-12(18)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3,(H,15,18)/b14-10-
InChIKeyFIGPFUPBRRMVLZ-UVTDQMKNSA-N
XLogP1.01
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.01
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide?
The IUPAC name of N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide (CID 6509867) is N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide.
What is the SMILES notation for N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide?
The canonical SMILES for N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide is C/C(=N/NC(=S)N1CCOCC1)c1ccccn1.
What is the InChIKey of N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide?
The InChIKey is FIGPFUPBRRMVLZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-10(11-4-2-3-5-13-11)14-15-12(18)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3,(H,15,18)/b14-10-.
What are the key properties of N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide?
N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide has a molecular weight of 264.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-pyridin-2-ylethylideneamino]morpholine-4-carbothioamide is sourced from PubChem (CID 6509867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).