5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide

C11H12N4O3S2 — CID 114614370

IUPAC5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(C(N)=S)nc2)on1
InChIInChI=1S/C11H12N4O3S2/c1-7-4-8(18-15-7)5-14-20(16,17)9-2-3-10(11(12)19)13-6-9/h2-4,6,14H,5H2,1H3,(H2,12,19)
InChIKeyAWTILTDJNPRHLU-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.49
Rot. Bonds5

About 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide

5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614370) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
PubChem CID114614370
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(C(N)=S)nc2)on1
InChIInChI=1S/C11H12N4O3S2/c1-7-4-8(18-15-7)5-14-20(16,17)9-2-3-10(11(12)19)13-6-9/h2-4,6,14H,5H2,1H3,(H2,12,19)
InChIKeyAWTILTDJNPRHLU-UHFFFAOYSA-N
XLogP0.49
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.49
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

5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270937
5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64608033
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
5-(2,2-dimethylbutylsulfamoyl)pyridine-2-carbothioamide
CID 103461809
5-[(4-fluorophenyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614024
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962
5-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446
5-[(3,4-dimethylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614064
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 114614169
2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547170
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 64897437
5-[(4-methylcyclohexyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614449

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide (CID 114614370) is 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide is Cc1cc(CNS(=O)(=O)c2ccc(C(N)=S)nc2)on1.
What is the InChIKey of 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The InChIKey is AWTILTDJNPRHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-7-4-8(18-15-7)5-14-20(16,17)9-2-3-10(11(12)19)13-6-9/h2-4,6,14H,5H2,1H3,(H2,12,19).
What are the key properties of 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide?
5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide has a molecular weight of 312.38 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).