5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide

C9H7N5OS2 — CID 114912663

IUPAC5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2cnns2)nc1
InChIInChI=1S/C9H7N5OS2/c10-8(16)5-1-2-6(11-3-5)9(15)13-7-4-12-14-17-7/h1-4H,(H2,10,16)(H,13,15)
InChIKeyOEPPSZXSKQXNCE-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.82
Rot. Bonds3

About 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide

5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide (PubChem CID 114912663) has the molecular formula C9H7N5OS2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
PubChem CID114912663
Molecular FormulaC9H7N5OS2
Molecular Weight265.32 g/mol
Exact Mass265.01
IUPAC Name5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2cnns2)nc1
InChIInChI=1S/C9H7N5OS2/c10-8(16)5-1-2-6(11-3-5)9(15)13-7-4-12-14-17-7/h1-4H,(H2,10,16)(H,13,15)
InChIKeyOEPPSZXSKQXNCE-UHFFFAOYSA-N
XLogP0.82
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.82
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-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114388033
5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 65469584
N-(4-bromophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724746
4-hydroxy-N-(thiadiazol-5-yl)benzamide
CID 114912827
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
CID 103282570
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901
2-amino-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114914190
5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106329081
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 63749555

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide (CID 114912663) is 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)Nc2cnns2)nc1.
What is the InChIKey of 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is OEPPSZXSKQXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5OS2/c10-8(16)5-1-2-6(11-3-5)9(15)13-7-4-12-14-17-7/h1-4H,(H2,10,16)(H,13,15).
What are the key properties of 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide?
5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114912663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).