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

C15H15N3O3S2 — CID 59939134

IUPACN-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
SMILESCOS(=O)N(C(=O)c1ccccc1)c1cc(C)ncc1C(N)=S
InChIInChI=1S/C15H15N3O3S2/c1-10-8-13(12(9-17-10)14(16)22)18(23(20)21-2)15(19)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,16,22)
InChIKeyAUDVTGNZVHRVQW-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.90
Rot. Bonds5

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

N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide (PubChem CID 59939134) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
PubChem CID59939134
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
SMILESCOS(=O)N(C(=O)c1ccccc1)c1cc(C)ncc1C(N)=S
InChIInChI=1S/C15H15N3O3S2/c1-10-8-13(12(9-17-10)14(16)22)18(23(20)21-2)15(19)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,16,22)
InChIKeyAUDVTGNZVHRVQW-UHFFFAOYSA-N
XLogP1.90
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.90
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)-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)-2-fluoro-N-methoxysulfinylbenzamide
CID 59938093
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide
CID 59939157
N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
CID 59939121
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
4-methoxy-6-methylpyridine-3-carboxamide
CID 69278952
N-(2-carbamothioyl-4-fluorophenyl)-N-methylsulfonylbenzamide
CID 54424565
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070
N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755
N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide
CID 163254012
4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
CID 106760088
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
4-(benzylamino)-6-methylpyridine-3-carboxylic acid;methyl 4-amino-6-methylpyridine-3-carboxylate
CID 159705199

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide?
The IUPAC name of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide (CID 59939134) is N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide?
The canonical SMILES for N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide is COS(=O)N(C(=O)c1ccccc1)c1cc(C)ncc1C(N)=S.
What is the InChIKey of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide?
The InChIKey is AUDVTGNZVHRVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-10-8-13(12(9-17-10)14(16)22)18(23(20)21-2)15(19)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,16,22).
What are the key properties of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide?
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide has a molecular weight of 349.44 g/mol, XLogP of 1.90, 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)-N-methoxysulfinylbenzamide is sourced from PubChem (CID 59939134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).