2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide

C12H19N3OS — CID 114767331

IUPAC2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCCCN(CCO)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C12H19N3OS/c1-3-4-15(5-6-16)11-8-10(12(13)17)7-9(2)14-11/h7-8,16H,3-6H2,1-2H3,(H2,13,17)
InChIKeyFSEVAPUXBDGCIH-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.23
Rot. Bonds6

About 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide

2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767331) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID114767331
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCCCN(CCO)c1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C12H19N3OS/c1-3-4-15(5-6-16)11-8-10(12(13)17)7-9(2)14-11/h7-8,16H,3-6H2,1-2H3,(H2,13,17)
InChIKeyFSEVAPUXBDGCIH-UHFFFAOYSA-N
XLogP1.23
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
ethyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)-ethylamino]acetate
CID 114767466
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767350
2-[(6-amino-2-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80796436
2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767300
2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380186
2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
CID 60981724
2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 114767566
2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 61424883

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide (CID 114767331) is 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide is CCCN(CCO)c1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is FSEVAPUXBDGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-4-15(5-6-16)11-8-10(12(13)17)7-9(2)14-11/h7-8,16H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide?
2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 253.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).