6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide

C13H20N4OS — CID 43348273

IUPAC6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C13H20N4OS/c14-13(19)11-2-3-12(16-10-11)15-4-1-5-17-6-8-18-9-7-17/h2-3,10H,1,4-9H2,(H2,14,19)(H,15,16)
InChIKeyDCUFVPJSGGPKKH-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.85
Rot. Bonds6

About 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide

6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide (PubChem CID 43348273) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
PubChem CID43348273
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C13H20N4OS/c14-13(19)11-2-3-12(16-10-11)15-4-1-5-17-6-8-18-9-7-17/h2-3,10H,1,4-9H2,(H2,14,19)(H,15,16)
InChIKeyDCUFVPJSGGPKKH-UHFFFAOYSA-N
XLogP0.85
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63724916
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 107934510
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
CID 107546554
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154098
4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178028
5-fluoro-2-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 63674197
5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
6-(3-phenoxypropylamino)pyridine-3-carbothioamide
CID 62380787
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
6-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115579964

Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide (CID 43348273) is 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide is NC(=S)c1ccc(NCCCN2CCOCC2)nc1.
What is the InChIKey of 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide?
The InChIKey is DCUFVPJSGGPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c14-13(19)11-2-3-12(16-10-11)15-4-1-5-17-6-8-18-9-7-17/h2-3,10H,1,4-9H2,(H2,14,19)(H,15,16).
What are the key properties of 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide?
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide has a molecular weight of 280.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 43348273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).