2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide

C19H19FN6OS — CID 2967128

IUPAC2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(Nc1nc(Nc2ccc(F)cc2)nc(SCC(N)=O)n1)c1ccccc1
InChIInChI=1S/C19H19FN6OS/c1-12(13-5-3-2-4-6-13)22-17-24-18(23-15-9-7-14(20)8-10-15)26-19(25-17)28-11-16(21)27/h2-10,12H,11H2,1H3,(H2,21,27)(H2,22,23,24,25,26)
InChIKeyQSUYRZICQJWPAO-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.50
Rot. Bonds8

About 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide

2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 2967128) has the molecular formula C19H19FN6OS and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID2967128
Molecular FormulaC19H19FN6OS
Molecular Weight398.47 g/mol
Exact Mass398.13
IUPAC Name2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(Nc1nc(Nc2ccc(F)cc2)nc(SCC(N)=O)n1)c1ccccc1
InChIInChI=1S/C19H19FN6OS/c1-12(13-5-3-2-4-6-13)22-17-24-18(23-15-9-7-14(20)8-10-15)26-19(25-17)28-11-16(21)27/h2-10,12H,11H2,1H3,(H2,21,27)(H2,22,23,24,25,26)
InChIKeyQSUYRZICQJWPAO-UHFFFAOYSA-N
XLogP3.50
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide 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-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 2967128) is 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CC(Nc1nc(Nc2ccc(F)cc2)nc(SCC(N)=O)n1)c1ccccc1.
What is the InChIKey of 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is QSUYRZICQJWPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6OS/c1-12(13-5-3-2-4-6-13)22-17-24-18(23-15-9-7-14(20)8-10-15)26-19(25-17)28-11-16(21)27/h2-10,12H,11H2,1H3,(H2,21,27)(H2,22,23,24,25,26).
What are the key properties of 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluoroanilino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2967128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).