2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide

C11H16N4OS — CID 43567540

IUPAC2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(C(N)=S)cn1
InChIInChI=1S/C11H16N4OS/c1-2-5-13-10(16)7-15-9-4-3-8(6-14-9)11(12)17/h3-4,6H,2,5,7H2,1H3,(H2,12,17)(H,13,16)(H,14,15)
InChIKeyYDMSJINOUAJGHX-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.65
Rot. Bonds6

About 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide

2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide (PubChem CID 43567540) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide
PubChem CID43567540
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(C(N)=S)cn1
InChIInChI=1S/C11H16N4OS/c1-2-5-13-10(16)7-15-9-4-3-8(6-14-9)11(12)17/h3-4,6H,2,5,7H2,1H3,(H2,12,17)(H,13,16)(H,14,15)
InChIKeyYDMSJINOUAJGHX-UHFFFAOYSA-N
XLogP0.65
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.65
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-[(5-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 113406260
2-[(5-methoxy-2-pyridinyl)amino]-N-propylacetamide
CID 106503985
3-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83120944
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
N-[2-(tert-butylamino)-2-oxoethyl]-6-(propylamino)pyridine-3-carboxamide
CID 115357188
2-(3-bromo-4-carbamothioylanilino)-N-propylacetamide
CID 107277391
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-[(4-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 24695549
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
2-[[6-(ethylamino)pyrazin-2-yl]amino]-N-propylacetamide
CID 78990280
N-propyl-2-[(6-propylpyrimidin-4-yl)amino]acetamide
CID 61240529
6-[(2-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 54944875

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide?
The IUPAC name of 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide (CID 43567540) is 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide is CCCNC(=O)CNc1ccc(C(N)=S)cn1.
What is the InChIKey of 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide?
The InChIKey is YDMSJINOUAJGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-5-13-10(16)7-15-9-4-3-8(6-14-9)11(12)17/h3-4,6H,2,5,7H2,1H3,(H2,12,17)(H,13,16)(H,14,15).
What are the key properties of 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide?
2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide has a molecular weight of 252.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide is sourced from PubChem (CID 43567540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).