2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide

C13H16N4S2 — CID 114767731

IUPAC2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
SMILESCCC(Nc1cc(C(N)=S)cc(C)n1)c1nccs1
InChIInChI=1S/C13H16N4S2/c1-3-10(13-15-4-5-19-13)17-11-7-9(12(14)18)6-8(2)16-11/h4-7,10H,3H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyZDYWQPXDFXIQJE-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.04
Rot. Bonds5

About 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide

2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide (PubChem CID 114767731) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
PubChem CID114767731
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
SMILESCCC(Nc1cc(C(N)=S)cc(C)n1)c1nccs1
InChIInChI=1S/C13H16N4S2/c1-3-10(13-15-4-5-19-13)17-11-7-9(12(14)18)6-8(2)16-11/h4-7,10H,3H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyZDYWQPXDFXIQJE-UHFFFAOYSA-N
XLogP3.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990
2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
CID 114767732
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767829
4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772193
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
CID 54964485
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide (CID 114767731) is 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide is CCC(Nc1cc(C(N)=S)cc(C)n1)c1nccs1.
What is the InChIKey of 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide?
The InChIKey is ZDYWQPXDFXIQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-3-10(13-15-4-5-19-13)17-11-7-9(12(14)18)6-8(2)16-11/h4-7,10H,3H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide?
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide has a molecular weight of 292.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).