6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide

C11H13N5OS — CID 106399820

IUPAC6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NCCc2ncon2)n1
InChIInChI=1S/C11H13N5OS/c1-7-2-3-8(10(12)18)11(15-7)13-5-4-9-14-6-17-16-9/h2-3,6H,4-5H2,1H3,(H2,12,18)(H,13,15)
InChIKeyJRMTUZMXAFETPT-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.06
Rot. Bonds5

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

6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide (PubChem CID 106399820) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide
PubChem CID106399820
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NCCc2ncon2)n1
InChIInChI=1S/C11H13N5OS/c1-7-2-3-8(10(12)18)11(15-7)13-5-4-9-14-6-17-16-9/h2-3,6H,4-5H2,1H3,(H2,12,18)(H,13,15)
InChIKeyJRMTUZMXAFETPT-UHFFFAOYSA-N
XLogP1.06
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036160
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
2-(2,2-dimethylbutylamino)-6-methylpyridine-3-carbothioamide
CID 103461825
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6-methylpyridine-3-carbothioamide
CID 79242378
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106404327
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide
CID 63828659
6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412529
3-[(3-carbamothioyl-6-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 114167405
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
2-(1,2,4-oxadiazol-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 106399656
2-methyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114184042
ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 106407447

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide (CID 106399820) is 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(NCCc2ncon2)n1.
What is the InChIKey of 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is JRMTUZMXAFETPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-2-3-8(10(12)18)11(15-7)13-5-4-9-14-6-17-16-9/h2-3,6H,4-5H2,1H3,(H2,12,18)(H,13,15).
What are the key properties of 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide?
6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide has a molecular weight of 263.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 106399820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).