N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide

C15H14FN3O3S2 — CID 59938093

IUPACN-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide
SMILESCOS(=O)N(C(=O)c1ccccc1F)c1cc(C)ncc1C(N)=S
InChIInChI=1S/C15H14FN3O3S2/c1-9-7-13(11(8-18-9)14(17)23)19(24(21)22-2)15(20)10-5-3-4-6-12(10)16/h3-8H,1-2H3,(H2,17,23)
InChIKeyLKXDVPIZCXPIRR-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.04
Rot. Bonds5

About N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide

N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide (PubChem CID 59938093) has the molecular formula C15H14FN3O3S2 and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide
PubChem CID59938093
Molecular FormulaC15H14FN3O3S2
Molecular Weight367.43 g/mol
Exact Mass367.05
IUPAC NameN-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide
SMILESCOS(=O)N(C(=O)c1ccccc1F)c1cc(C)ncc1C(N)=S
InChIInChI=1S/C15H14FN3O3S2/c1-9-7-13(11(8-18-9)14(17)23)19(24(21)22-2)15(20)10-5-3-4-6-12(10)16/h3-8H,1-2H3,(H2,17,23)
InChIKeyLKXDVPIZCXPIRR-UHFFFAOYSA-N
XLogP2.04
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide 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

N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
CID 59939134
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide
CID 59939157
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-4-chloro-N-ethylbenzamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide;bis(N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylacetamide);N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-cyano-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide
CID 161136238
N-(2-fluorophenyl)-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
CID 81240322
4-methoxy-6-methylpyridine-3-carboxamide
CID 69278952
2-fluorobenzamide;dihydrochloride
CID 22563899
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
2-amino-1-(2-fluorophenyl)-2-methoxyethanone
CID 57287151
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953294
N-[2-(2-fluorophenyl)ethyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81240448
N-(2-carbamothioylphenyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 81265838
4-(difluoromethoxy)-6-methylpyridine-3-carboxamide
CID 174869415

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide?
The IUPAC name of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide (CID 59938093) is N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide?
The canonical SMILES for N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide is COS(=O)N(C(=O)c1ccccc1F)c1cc(C)ncc1C(N)=S.
What is the InChIKey of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide?
The InChIKey is LKXDVPIZCXPIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S2/c1-9-7-13(11(8-18-9)14(17)23)19(24(21)22-2)15(20)10-5-3-4-6-12(10)16/h3-8H,1-2H3,(H2,17,23).
What are the key properties of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide?
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide has a molecular weight of 367.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide is sourced from PubChem (CID 59938093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).