N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide

C9H11N3OS — CID 87180864

IUPACN-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C9H11N3OS/c1-5-3-7(9(10)14)4-8(11-5)12-6(2)13/h3-4H,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyRPGCLHKAOPRGKJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.98
Rot. Bonds2

About N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide

N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide (PubChem CID 87180864) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
PubChem CID87180864
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C9H11N3OS/c1-5-3-7(9(10)14)4-8(11-5)12-6(2)13/h3-4H,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyRPGCLHKAOPRGKJ-UHFFFAOYSA-N
XLogP0.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.98
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

2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114767931
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051
2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767157
2-methyl-6-[(1-oxothian-4-yl)amino]pyridine-4-carbothioamide
CID 114767979
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide (CID 87180864) is N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide is CC(=O)Nc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide?
The InChIKey is RPGCLHKAOPRGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-3-7(9(10)14)4-8(11-5)12-6(2)13/h3-4H,1-2H3,(H2,10,14)(H,11,12,13).
What are the key properties of N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide?
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide has a molecular weight of 209.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 87180864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).