2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide

C10H10N4OS — CID 106418162

IUPAC2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCc2ccno2)c1
InChIInChI=1S/C10H10N4OS/c11-10(16)7-1-3-12-9(5-7)13-6-8-2-4-14-15-8/h1-5H,6H2,(H2,11,16)(H,12,13)
InChIKeyJYCBYSRJAVYIKK-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.32
Rot. Bonds4

About 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide

2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide (PubChem CID 106418162) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide
PubChem CID106418162
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCc2ccno2)c1
InChIInChI=1S/C10H10N4OS/c11-10(16)7-1-3-12-9(5-7)13-6-8-2-4-14-15-8/h1-5H,6H2,(H2,11,16)(H,12,13)
InChIKeyJYCBYSRJAVYIKK-UHFFFAOYSA-N
XLogP1.32
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2-oxazol-3-ylmethylamino)pyridine-4-carbothioamide
CID 81177193
2-(benzylamino)pyridine-4-carbothioamide
CID 24710183
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 114183854
2-[(4-ethylphenyl)methylamino]pyridine-4-carbothioamide
CID 106899895
2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbothioamide
CID 62881671
2-[(3-chloro-4-fluorophenyl)methylamino]pyridine-4-carbothioamide
CID 62538283
2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
CID 62370127
2-(1,2-oxazol-5-ylmethylamino)quinoline-4-carbothioamide
CID 106418218
4-methyl-2-N-(1,2-oxazol-5-ylmethyl)pyridine-2,5-diamine
CID 106414445
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
3-chloro-4-(1,2-oxazol-5-ylmethylsulfamoyl)benzenecarbothioamide
CID 106418008
2-(1,4-dioxan-2-ylmethylamino)pyridine-4-carbothioamide
CID 54908352

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide (CID 106418162) is 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide is NC(=S)c1ccnc(NCc2ccno2)c1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide?
The InChIKey is JYCBYSRJAVYIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-10(16)7-1-3-12-9(5-7)13-6-8-2-4-14-15-8/h1-5H,6H2,(H2,11,16)(H,12,13).
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide?
2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide has a molecular weight of 234.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 106418162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).