2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide

C12H18N4OS — CID 113269629

IUPAC2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1cnccc1C(N)=S
InChIInChI=1S/C12H18N4OS/c1-2-3-6-16(8-11(13)17)10-7-15-5-4-9(10)12(14)18/h4-5,7H,2-3,6,8H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyOMGBPPGLEXFTNR-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.81
Rot. Bonds7

About 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide

2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide (PubChem CID 113269629) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide
PubChem CID113269629
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1cnccc1C(N)=S
InChIInChI=1S/C12H18N4OS/c1-2-3-6-16(8-11(13)17)10-7-15-5-4-9(10)12(14)18/h4-5,7H,2-3,6,8H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyOMGBPPGLEXFTNR-UHFFFAOYSA-N
XLogP0.81
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.81
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

2-[(4-carbamothioyl-3-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114288382
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide
CID 114288187
2-(N-butyl-4-carbamothioyl-3-chloroanilino)acetamide
CID 62947297
3-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 114288289
ethyl 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetate
CID 114288353
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]-N-propylacetamide
CID 113269585
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
3-[cyclopropylmethyl(ethyl)amino]pyridine-4-carbothioamide
CID 114288566
3-[2-hydroxyethyl(methyl)amino]pyridine-4-carbothioamide
CID 114288238
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-[N-butyl-2-(hydroxymethyl)anilino]acetamide
CID 55003388
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide?
The IUPAC name of 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide (CID 113269629) is 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide?
The canonical SMILES for 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide is CCCCN(CC(N)=O)c1cnccc1C(N)=S.
What is the InChIKey of 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide?
The InChIKey is OMGBPPGLEXFTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-2-3-6-16(8-11(13)17)10-7-15-5-4-9(10)12(14)18/h4-5,7H,2-3,6,8H2,1H3,(H2,13,17)(H2,14,18).
What are the key properties of 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide?
2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide has a molecular weight of 266.37 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide is sourced from PubChem (CID 113269629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).