2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide

C16H17N3O2S — CID 2276163

IUPAC2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide
SMILESCc1ccc(OCC(=O)NC(=S)Nc2cccc(C)n2)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-6-8-13(9-7-11)21-10-15(20)19-16(22)18-14-5-3-4-12(2)17-14/h3-9H,10H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyFIXNNCVFYCKPKS-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide

2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide (PubChem CID 2276163) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide
PubChem CID2276163
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide
SMILESCc1ccc(OCC(=O)NC(=S)Nc2cccc(C)n2)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-6-8-13(9-7-11)21-10-15(20)19-16(22)18-14-5-3-4-12(2)17-14/h3-9H,10H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyFIXNNCVFYCKPKS-UHFFFAOYSA-N
XLogP2.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.59
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-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide (CID 2276163) is 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide is Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C)n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide?
The InChIKey is FIXNNCVFYCKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-6-8-13(9-7-11)21-10-15(20)19-16(22)18-14-5-3-4-12(2)17-14/h3-9H,10H2,1-2H3,(H2,17,18,19,20,22).
What are the key properties of 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide?
2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(6-methyl-2-pyridinyl)carbamothioyl]acetamide is sourced from PubChem (CID 2276163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).