6-(3-phenoxypropylamino)pyridine-3-carbothioamide

C15H17N3OS — CID 62380787

IUPAC6-(3-phenoxypropylamino)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCCOc2ccccc2)nc1
InChIInChI=1S/C15H17N3OS/c16-15(20)12-7-8-14(18-11-12)17-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,16,20)(H,17,18)
InChIKeyWFODEFMYVOZRFU-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.60
Rot. Bonds7

About 6-(3-phenoxypropylamino)pyridine-3-carbothioamide

6-(3-phenoxypropylamino)pyridine-3-carbothioamide (PubChem CID 62380787) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 6-(3-phenoxypropylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(3-phenoxypropylamino)pyridine-3-carbothioamide
PubChem CID62380787
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name6-(3-phenoxypropylamino)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCCOc2ccccc2)nc1
InChIInChI=1S/C15H17N3OS/c16-15(20)12-7-8-14(18-11-12)17-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,16,20)(H,17,18)
InChIKeyWFODEFMYVOZRFU-UHFFFAOYSA-N
XLogP2.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-[3-(2-methylpropoxy)propylamino]pyridine-3-carbothioamide
CID 114098075
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
4-methyl-3-(3-phenoxypropoxy)benzenecarbothioamide
CID 107656189
6-[(2-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 54944875
6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54954330
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
CID 43348273
4-(3-phenoxypropylamino)benzamide
CID 60678988
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884
6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide
CID 43566303
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
3-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83120944

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenoxypropylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-(3-phenoxypropylamino)pyridine-3-carbothioamide (CID 62380787) is 6-(3-phenoxypropylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(3-phenoxypropylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-(3-phenoxypropylamino)pyridine-3-carbothioamide is NC(=S)c1ccc(NCCCOc2ccccc2)nc1.
What is the InChIKey of 6-(3-phenoxypropylamino)pyridine-3-carbothioamide?
The InChIKey is WFODEFMYVOZRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-15(20)12-7-8-14(18-11-12)17-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,16,20)(H,17,18).
What are the key properties of 6-(3-phenoxypropylamino)pyridine-3-carbothioamide?
6-(3-phenoxypropylamino)pyridine-3-carbothioamide has a molecular weight of 287.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxypropylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 62380787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).