2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide

C13H19N3OS — CID 88902286

IUPAC2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide
SMILESCC(N)C(=S)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C13H19N3OS/c1-10(14)13(18)15-11-4-2-3-5-12(11)16-6-8-17-9-7-16/h2-5,10H,6-9,14H2,1H3,(H,15,18)
InChIKeyAITYSINCSRAVSS-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.61
Rot. Bonds3

About 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide

2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide (PubChem CID 88902286) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide.

Molecular Properties

Compound Name2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide
PubChem CID88902286
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide
SMILESCC(N)C(=S)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C13H19N3OS/c1-10(14)13(18)15-11-4-2-3-5-12(11)16-6-8-17-9-7-16/h2-5,10H,6-9,14H2,1H3,(H,15,18)
InChIKeyAITYSINCSRAVSS-UHFFFAOYSA-N
XLogP1.61
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_amide_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
(2S)-2-amino-N-(2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 22691745
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 7940676
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate
CID 15746494
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
3-(ethylamino)-N-(2-morpholin-4-ylphenyl)butanamide
CID 62839891

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide?
The IUPAC name of 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide (CID 88902286) is 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide.
What is the SMILES notation for 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide?
The canonical SMILES for 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide is CC(N)C(=S)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide?
The InChIKey is AITYSINCSRAVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10(14)13(18)15-11-4-2-3-5-12(11)16-6-8-17-9-7-16/h2-5,10H,6-9,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide?
2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide has a molecular weight of 265.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide is sourced from PubChem (CID 88902286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).