3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide

C12H18N4OS — CID 106277603

IUPAC3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccc(C(N)=S)nc1
InChIInChI=1S/C12H18N4OS/c1-12(2,11(17)14-3)7-16-8-4-5-9(10(13)18)15-6-8/h4-6,16H,7H2,1-3H3,(H2,13,18)(H,14,17)
InChIKeyHBVWDYISNRPSSE-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.90
Rot. Bonds5

About 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide

3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106277603) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide
PubChem CID106277603
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccc(C(N)=S)nc1
InChIInChI=1S/C12H18N4OS/c1-12(2,11(17)14-3)7-16-8-4-5-9(10(13)18)15-6-8/h4-6,16H,7H2,1-3H3,(H2,13,18)(H,14,17)
InChIKeyHBVWDYISNRPSSE-UHFFFAOYSA-N
XLogP0.90
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.90
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

3-[(6-carbamothioyl-3-pyridinyl)amino]-3-methylbutanamide
CID 106096803
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 115488572
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
5-[(3-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 113320991
5-[(4-propan-2-ylphenyl)methylamino]pyridine-2-carbothioamide
CID 115488478
3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 104844185
3-[(5-tert-butyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106278300
3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 102846503
5-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 113320967
5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 115488535

Frequently Asked Questions

What is the IUPAC name of 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide (CID 106277603) is 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ccc(C(N)=S)nc1.
What is the InChIKey of 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is HBVWDYISNRPSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-12(2,11(17)14-3)7-16-8-4-5-9(10(13)18)15-6-8/h4-6,16H,7H2,1-3H3,(H2,13,18)(H,14,17).
What are the key properties of 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide?
3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).