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

C12H18N4OS — CID 113406261

IUPAC2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cccc(C(N)=S)n1
InChIInChI=1S/C12H18N4OS/c1-3-16(4-2)11(17)8-14-10-7-5-6-9(15-10)12(13)18/h5-7H,3-4,8H2,1-2H3,(H2,13,18)(H,14,15)
InChIKeyKJNIDTUWBRNTJF-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.00
Rot. Bonds6

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

2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide (PubChem CID 113406261) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
PubChem CID113406261
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cccc(C(N)=S)n1
InChIInChI=1S/C12H18N4OS/c1-3-16(4-2)11(17)8-14-10-7-5-6-9(15-10)12(13)18/h5-7H,3-4,8H2,1-2H3,(H2,13,18)(H,14,15)
InChIKeyKJNIDTUWBRNTJF-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.00
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

6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
2-[(5-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 113406260
6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
CID 64588815
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83121797
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
ethyl 2-[(6-carbamothioyl-2-pyridinyl)amino]propanoate
CID 64589637
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide
CID 64588030
6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
CID 64587863
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide
CID 113406427
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
6-[(3-methyl-4-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 114700514

Frequently Asked Questions

What is the IUPAC name of 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide (CID 113406261) is 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1cccc(C(N)=S)n1.
What is the InChIKey of 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The InChIKey is KJNIDTUWBRNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-3-16(4-2)11(17)8-14-10-7-5-6-9(15-10)12(13)18/h5-7H,3-4,8H2,1-2H3,(H2,13,18)(H,14,15).
What are the key properties of 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide?
2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 113406261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).