2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide

C12H18N4OS — CID 103110451

IUPAC2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ncccc1C(N)=S
InChIInChI=1S/C12H18N4OS/c1-4-16(3)12(17)8(2)15-11-9(10(13)18)6-5-7-14-11/h5-8H,4H2,1-3H3,(H2,13,18)(H,14,15)
InChIKeyFOTFUSRLGKBILG-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.99
Rot. Bonds5

About 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide

2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103110451) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103110451
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ncccc1C(N)=S
InChIInChI=1S/C12H18N4OS/c1-4-16(3)12(17)8(2)15-11-9(10(13)18)6-5-7-14-11/h5-8H,4H2,1-3H3,(H2,13,18)(H,14,15)
InChIKeyFOTFUSRLGKBILG-UHFFFAOYSA-N
XLogP0.99
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-carbamothioyl-2-pyridinyl)amino]propanoate
CID 61497791
2-[(3-carbamothioyl-2-pyridinyl)amino]-N-propylpropanamide
CID 54958501
2-[(4-carbamothioyl-5,6-dimethylpyridazin-3-yl)amino]-N-ethyl-N-methylpropanamide
CID 103110463
2-(octan-2-ylamino)pyridine-3-carbothioamide
CID 63518030
N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
CID 106540035
N-ethyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-methylpropanamide
CID 103111577
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
N-ethyl-N-methyl-2-[(6-methylpyridazin-3-yl)amino]propanamide
CID 103111706
2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide
CID 43534447
N-ethyl-N-methyl-2-(pyrimidin-4-ylamino)propanamide
CID 103111508
2-(2,3,3-trimethylbutylamino)pyridine-3-carbothioamide
CID 83144500
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide (CID 103110451) is 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ncccc1C(N)=S.
What is the InChIKey of 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is FOTFUSRLGKBILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-16(3)12(17)8(2)15-11-9(10(13)18)6-5-7-14-11/h5-8H,4H2,1-3H3,(H2,13,18)(H,14,15).
What are the key properties of 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103110451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).