3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide

C12H17N3OS — CID 113269552

IUPAC3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide
SMILESCC1CN(c2cnccc2C(N)=S)C(C)CO1
InChIInChI=1S/C12H17N3OS/c1-8-7-16-9(2)6-15(8)11-5-14-4-3-10(11)12(13)17/h3-5,8-9H,6-7H2,1-2H3,(H2,13,17)
InChIKeyQWHFGLVHPDMFSN-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.33
Rot. Bonds2

About 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide

3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide (PubChem CID 113269552) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide
PubChem CID113269552
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide
SMILESCC1CN(c2cnccc2C(N)=S)C(C)CO1
InChIInChI=1S/C12H17N3OS/c1-8-7-16-9(2)6-15(8)11-5-14-4-3-10(11)12(13)17/h3-5,8-9H,6-7H2,1-2H3,(H2,13,17)
InChIKeyQWHFGLVHPDMFSN-UHFFFAOYSA-N
XLogP1.33
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)benzenecarbothioamide
CID 43544898
1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 114288364
8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine
CID 103137270
4-(2,5-dimethylmorpholin-4-yl)quinoline-3-carbothioamide
CID 43669671
2-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43544651
2-bromo-4-(2,5-dimethylmorpholin-4-yl)benzenecarbothioamide
CID 107277380
3-(3-methylpiperidin-1-yl)pyridine-4-carbothioamide
CID 114288015
N-[[4-(2,5-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81246776
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
4-(2,5-dimethylmorpholin-4-yl)-1H-pyrazol-5-amine
CID 82234573
2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide
CID 107930337
[5-methyl-4-(3-methyl-4-pyridinyl)morpholin-2-yl]methanamine
CID 81217599

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide (CID 113269552) is 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide is CC1CN(c2cnccc2C(N)=S)C(C)CO1.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide?
The InChIKey is QWHFGLVHPDMFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-7-16-9(2)6-15(8)11-5-14-4-3-10(11)12(13)17/h3-5,8-9H,6-7H2,1-2H3,(H2,13,17).
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide?
3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide has a molecular weight of 251.35 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide is sourced from PubChem (CID 113269552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).