2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide

C13H20N4OS — CID 54989057

IUPAC2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide
SMILESCc1cc(C)c(C(N)=S)c(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C13H20N4OS/c1-7(2)17(6-10(14)18)13-11(12(15)19)8(3)5-9(4)16-13/h5,7H,6H2,1-4H3,(H2,14,18)(H2,15,19)
InChIKeyNIXUKSLQZANCTG-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.03
Rot. Bonds5

About 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide

2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide (PubChem CID 54989057) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide
PubChem CID54989057
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide
SMILESCc1cc(C)c(C(N)=S)c(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C13H20N4OS/c1-7(2)17(6-10(14)18)13-11(12(15)19)8(3)5-9(4)16-13/h5,7H,6H2,1-4H3,(H2,14,18)(H2,15,19)
InChIKeyNIXUKSLQZANCTG-UHFFFAOYSA-N
XLogP1.03
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide (CID 54989057) is 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide is Cc1cc(C)c(C(N)=S)c(N(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide?
The InChIKey is NIXUKSLQZANCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-7(2)17(6-10(14)18)13-11(12(15)19)8(3)5-9(4)16-13/h5,7H,6H2,1-4H3,(H2,14,18)(H2,15,19).
What are the key properties of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide?
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide has a molecular weight of 280.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 54989057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).