2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide

C10H14N4OS — CID 114288182

IUPAC2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cnccc1C(N)=S
InChIInChI=1S/C10H14N4OS/c1-14(2)9(15)6-13-8-5-12-4-3-7(8)10(11)16/h3-5,13H,6H2,1-2H3,(H2,11,16)
InChIKeyXBDPLUVCRAQNLB-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.22
Rot. Bonds4

About 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide

2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide (PubChem CID 114288182) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
PubChem CID114288182
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cnccc1C(N)=S
InChIInChI=1S/C10H14N4OS/c1-14(2)9(15)6-13-8-5-12-4-3-7(8)10(11)16/h3-5,13H,6H2,1-2H3,(H2,11,16)
InChIKeyXBDPLUVCRAQNLB-UHFFFAOYSA-N
XLogP0.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.22
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

3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbothioamide
CID 114288483
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
3-(2-fluoroethylamino)pyridine-4-carbothioamide
CID 130504428
methyl 2-[(4-carbamothioyl-3-pyridinyl)amino]propanoate
CID 114288314
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbothioamide
CID 114942551
3-[2-(methanesulfonamido)ethylamino]pyridine-4-carbothioamide
CID 114288202
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
CID 106947627
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 113269668
3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006
3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide
CID 114288424
3-[(5-methylfuran-2-yl)methylamino]pyridine-4-carbothioamide
CID 113269665

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide (CID 114288182) is 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1cnccc1C(N)=S.
What is the InChIKey of 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide?
The InChIKey is XBDPLUVCRAQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-14(2)9(15)6-13-8-5-12-4-3-7(8)10(11)16/h3-5,13H,6H2,1-2H3,(H2,11,16).
What are the key properties of 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide?
2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide has a molecular weight of 238.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 114288182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).