N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide

C15H16N4S2 — CID 155524028

IUPACN-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide
SMILESS=C(N/N=C\c1ccc2ccccc2n1)N1CCSCC1
InChIInChI=1S/C15H16N4S2/c20-15(19-7-9-21-10-8-19)18-16-11-13-6-5-12-3-1-2-4-14(12)17-13/h1-6,11H,7-10H2,(H,18,20)/b16-11-
InChIKeyWGPSHBFSTZNGEP-WJDWOHSUSA-N
MW316.45 g/mol
LogP2.49
Rot. Bonds2

About N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide

N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide (PubChem CID 155524028) has the molecular formula C15H16N4S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide
PubChem CID155524028
Molecular FormulaC15H16N4S2
Molecular Weight316.45 g/mol
Exact Mass316.08
IUPAC NameN-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide
SMILESS=C(N/N=C\c1ccc2ccccc2n1)N1CCSCC1
InChIInChI=1S/C15H16N4S2/c20-15(19-7-9-21-10-8-19)18-16-11-13-6-5-12-3-1-2-4-14(12)17-13/h1-6,11H,7-10H2,(H,18,20)/b16-11-
InChIKeyWGPSHBFSTZNGEP-WJDWOHSUSA-N
XLogP2.49
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.49
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)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide?
The IUPAC name of N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide (CID 155524028) is N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide.
What is the SMILES notation for N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide?
The canonical SMILES for N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide is S=C(N/N=C\c1ccc2ccccc2n1)N1CCSCC1.
What is the InChIKey of N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide?
The InChIKey is WGPSHBFSTZNGEP-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H16N4S2/c20-15(19-7-9-21-10-8-19)18-16-11-13-6-5-12-3-1-2-4-14(12)17-13/h1-6,11H,7-10H2,(H,18,20)/b16-11-.
What are the key properties of N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide?
N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide has a molecular weight of 316.45 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide is sourced from PubChem (CID 155524028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).