5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide

C11H14N4O2S — CID 83016505

IUPAC5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NN2CCOCC2)nc1
InChIInChI=1S/C11H14N4O2S/c12-10(18)8-1-2-9(13-7-8)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,12,18)(H,14,16)
InChIKeyKDCHCHXUSKXPAJ-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.31
Rot. Bonds3

About 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide

5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 83016505) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide
PubChem CID83016505
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NN2CCOCC2)nc1
InChIInChI=1S/C11H14N4O2S/c12-10(18)8-1-2-9(13-7-8)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,12,18)(H,14,16)
InChIKeyKDCHCHXUSKXPAJ-UHFFFAOYSA-N
XLogP-0.31
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide (CID 83016505) is 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide is NC(=S)c1ccc(C(=O)NN2CCOCC2)nc1.
What is the InChIKey of 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is KDCHCHXUSKXPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-10(18)8-1-2-9(13-7-8)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,12,18)(H,14,16).
What are the key properties of 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide?
5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 266.33 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 83016505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).