2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide

C10H11N5OS — CID 114183854

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
SMILESCc1nc(CNc2cc(C(N)=S)ccn2)no1
InChIInChI=1S/C10H11N5OS/c1-6-14-9(15-16-6)5-13-8-4-7(10(11)17)2-3-12-8/h2-4H,5H2,1H3,(H2,11,17)(H,12,13)
InChIKeyOGOLSYGRQKLMHL-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.02
Rot. Bonds4

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide (PubChem CID 114183854) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
PubChem CID114183854
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
SMILESCc1nc(CNc2cc(C(N)=S)ccn2)no1
InChIInChI=1S/C10H11N5OS/c1-6-14-9(15-16-6)5-13-8-4-7(10(11)17)2-3-12-8/h2-4H,5H2,1H3,(H2,11,17)(H,12,13)
InChIKeyOGOLSYGRQKLMHL-UHFFFAOYSA-N
XLogP1.02
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.02
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

methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106400515
2-(1,2-oxazol-3-ylmethylamino)pyridine-4-carbothioamide
CID 81177193
2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide
CID 106418162
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide
CID 114183857
2-[(4-ethylphenyl)methylamino]pyridine-4-carbothioamide
CID 106899895
2-(benzylamino)pyridine-4-carbothioamide
CID 24710183
3-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 106399412
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166
2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
CID 62370127
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114185472
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoylmethyl]benzenecarbothioamide
CID 106399385

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide (CID 114183854) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide is Cc1nc(CNc2cc(C(N)=S)ccn2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide?
The InChIKey is OGOLSYGRQKLMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-6-14-9(15-16-6)5-13-8-4-7(10(11)17)2-3-12-8/h2-4H,5H2,1H3,(H2,11,17)(H,12,13).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide has a molecular weight of 249.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 114183854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).