4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide

C13H19N3OS — CID 63882475

IUPAC4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
SMILESCCC1CN(Cc2ccnc(C(N)=S)c2)CCO1
InChIInChI=1S/C13H19N3OS/c1-2-11-9-16(5-6-17-11)8-10-3-4-15-12(7-10)13(14)18/h3-4,7,11H,2,5-6,8-9H2,1H3,(H2,14,18)
InChIKeyAXKWIFAHCSMAOW-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.33
Rot. Bonds4

About 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide

4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide (PubChem CID 63882475) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
PubChem CID63882475
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
SMILESCCC1CN(Cc2ccnc(C(N)=S)c2)CCO1
InChIInChI=1S/C13H19N3OS/c1-2-11-9-16(5-6-17-11)8-10-3-4-15-12(7-10)13(14)18/h3-4,7,11H,2,5-6,8-9H2,1H3,(H2,14,18)
InChIKeyAXKWIFAHCSMAOW-UHFFFAOYSA-N
XLogP1.33
TPSA51.38 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 ≤ 51.33
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

[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 102958052
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63882107
3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorobenzenecarbothioamide
CID 43562689
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridine-2-carbothioamide
CID 63883270
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
[4-[(2-hydrazinyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 81213030
4-[(3-methylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 63882280
4-(pyrazol-1-ylmethyl)pyridine-2-carbothioamide
CID 63880930
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 83227298

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide?
The IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide (CID 63882475) is 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide?
The canonical SMILES for 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide is CCC1CN(Cc2ccnc(C(N)=S)c2)CCO1.
What is the InChIKey of 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide?
The InChIKey is AXKWIFAHCSMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-11-9-16(5-6-17-11)8-10-3-4-15-12(7-10)13(14)18/h3-4,7,11H,2,5-6,8-9H2,1H3,(H2,14,18).
What are the key properties of 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide?
4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide has a molecular weight of 265.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide is sourced from PubChem (CID 63882475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).