N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide

C12H16N4OS — CID 139238171

IUPACN-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)NN=Cc1ccncc1
InChIInChI=1S/C12H16N4OS/c17-12(10-16-5-7-18-8-6-16)15-14-9-11-1-3-13-4-2-11/h1-4,9H,5-8,10H2,(H,15,17)
InChIKeyCORRPACZRCHMPC-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.58
Rot. Bonds4

About N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide

N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide (PubChem CID 139238171) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
PubChem CID139238171
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)NN=Cc1ccncc1
InChIInChI=1S/C12H16N4OS/c17-12(10-16-5-7-18-8-6-16)15-14-9-11-1-3-13-4-2-11/h1-4,9H,5-8,10H2,(H,15,17)
InChIKeyCORRPACZRCHMPC-UHFFFAOYSA-N
XLogP0.58
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide 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

2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338386
N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 5406294
N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 792193
N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 786045
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 6894704
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
2-(2-oxo-1-pyridinyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 8883215
2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2730068
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide (CID 139238171) is N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide is O=C(CN1CCSCC1)NN=Cc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide?
The InChIKey is CORRPACZRCHMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c17-12(10-16-5-7-18-8-6-16)15-14-9-11-1-3-13-4-2-11/h1-4,9H,5-8,10H2,(H,15,17).
What are the key properties of N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide?
N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide has a molecular weight of 264.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 139238171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).