5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide

C13H9ClFN3OS — CID 63722901

IUPAC5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2F)nc1
InChIInChI=1S/C13H9ClFN3OS/c14-8-2-3-9(15)11(5-8)18-13(19)10-4-1-7(6-17-10)12(16)20/h1-6H,(H2,16,20)(H,18,19)
InChIKeyLUSUNFIOGAVTDY-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.76
Rot. Bonds3

About 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide

5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 63722901) has the molecular formula C13H9ClFN3OS and a molecular weight of 309.75 g/mol. Its IUPAC name is 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
PubChem CID63722901
Molecular FormulaC13H9ClFN3OS
Molecular Weight309.75 g/mol
Exact Mass309.01
IUPAC Name5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2F)nc1
InChIInChI=1S/C13H9ClFN3OS/c14-8-2-3-9(15)11(5-8)18-13(19)10-4-1-7(6-17-10)12(16)20/h1-6H,(H2,16,20)(H,18,19)
InChIKeyLUSUNFIOGAVTDY-UHFFFAOYSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 81271163
5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 63723402
N-(3-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 104779033
N-(2-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724601
3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
CID 43438538
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
5-carbamothioyl-N-[(3,4-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63749197
5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 65469584
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210
N-(5-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62169857
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide (CID 63722901) is 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2F)nc1.
What is the InChIKey of 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is LUSUNFIOGAVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3OS/c14-8-2-3-9(15)11(5-8)18-13(19)10-4-1-7(6-17-10)12(16)20/h1-6H,(H2,16,20)(H,18,19).
What are the key properties of 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide?
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 63722901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).