N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide

C13H19N3OS — CID 15581964

IUPACN-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide
SMILESCNC(=S)C(CN1CCOCC1)c1ccccn1
InChIInChI=1S/C13H19N3OS/c1-14-13(18)11(12-4-2-3-5-15-12)10-16-6-8-17-9-7-16/h2-5,11H,6-10H2,1H3,(H,14,18)
InChIKeyIBTBGOWIOWITDZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.04
Rot. Bonds4

About N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide

N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide (PubChem CID 15581964) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide.

Molecular Properties

Compound NameN-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide
PubChem CID15581964
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide
SMILESCNC(=S)C(CN1CCOCC1)c1ccccn1
InChIInChI=1S/C13H19N3OS/c1-14-13(18)11(12-4-2-3-5-15-12)10-16-6-8-17-9-7-16/h2-5,11H,6-10H2,1H3,(H,14,18)
InChIKeyIBTBGOWIOWITDZ-UHFFFAOYSA-N
XLogP1.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide?
The IUPAC name of N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide (CID 15581964) is N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide.
What is the SMILES notation for N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide?
The canonical SMILES for N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide is CNC(=S)C(CN1CCOCC1)c1ccccn1.
What is the InChIKey of N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide?
The InChIKey is IBTBGOWIOWITDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-14-13(18)11(12-4-2-3-5-15-12)10-16-6-8-17-9-7-16/h2-5,11H,6-10H2,1H3,(H,14,18).
What are the key properties of N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide?
N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide has a molecular weight of 265.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide is sourced from PubChem (CID 15581964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).