2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide

C13H18N4OS — CID 61177490

IUPAC2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide
SMILESCc1cc(C)c(C(N)=S)c(NCC(=O)NC2CC2)n1
InChIInChI=1S/C13H18N4OS/c1-7-5-8(2)16-13(11(7)12(14)19)15-6-10(18)17-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyRRRRDQYHLHXAJX-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.02
Rot. Bonds5

About 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide

2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide (PubChem CID 61177490) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide
PubChem CID61177490
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide
SMILESCc1cc(C)c(C(N)=S)c(NCC(=O)NC2CC2)n1
InChIInChI=1S/C13H18N4OS/c1-7-5-8(2)16-13(11(7)12(14)19)15-6-10(18)17-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyRRRRDQYHLHXAJX-UHFFFAOYSA-N
XLogP1.02
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide (CID 61177490) is 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide is Cc1cc(C)c(C(N)=S)c(NCC(=O)NC2CC2)n1.
What is the InChIKey of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide?
The InChIKey is RRRRDQYHLHXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7-5-8(2)16-13(11(7)12(14)19)15-6-10(18)17-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H2,14,19)(H,15,16)(H,17,18).
What are the key properties of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide?
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-N-cyclopropylacetamide has a molecular weight of 278.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 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)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 61177490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).