2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide

C13H20N4OS — CID 114767933

IUPAC2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C(N)=S)cc(NC(C)C(=O)NC(C)C)n1
InChIInChI=1S/C13H20N4OS/c1-7(2)15-13(18)9(4)17-11-6-10(12(14)19)5-8(3)16-11/h5-7,9H,1-4H3,(H2,14,19)(H,15,18)(H,16,17)
InChIKeyQJLPNKJYLZYFNQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.35
Rot. Bonds5

About 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide

2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide (PubChem CID 114767933) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
PubChem CID114767933
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C(N)=S)cc(NC(C)C(=O)NC(C)C)n1
InChIInChI=1S/C13H20N4OS/c1-7(2)15-13(18)9(4)17-11-6-10(12(14)19)5-8(3)16-11/h5-7,9H,1-4H3,(H2,14,19)(H,15,18)(H,16,17)
InChIKeyQJLPNKJYLZYFNQ-UHFFFAOYSA-N
XLogP1.35
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114766584
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114767407
2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
CID 114767732
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767412
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114767931
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
CID 114765268
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide (CID 114767933) is 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide is Cc1cc(C(N)=S)cc(NC(C)C(=O)NC(C)C)n1.
What is the InChIKey of 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is QJLPNKJYLZYFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-7(2)15-13(18)9(4)17-11-6-10(12(14)19)5-8(3)16-11/h5-7,9H,1-4H3,(H2,14,19)(H,15,18)(H,16,17).
What are the key properties of 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 280.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114767933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).