N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide

C14H18FN5OS — CID 59874319

IUPACN-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide
SMILESCCC(Nc1nc(NC(C)=O)nc(C(C)F)n1)c1cccs1
InChIInChI=1S/C14H18FN5OS/c1-4-10(11-6-5-7-22-11)17-14-19-12(8(2)15)18-13(20-14)16-9(3)21/h5-8,10H,4H2,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyAMSXNNIWMRREER-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.49
Rot. Bonds6

About N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide

N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide (PubChem CID 59874319) has the molecular formula C14H18FN5OS and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide
PubChem CID59874319
Molecular FormulaC14H18FN5OS
Molecular Weight323.40 g/mol
Exact Mass323.12
IUPAC NameN-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide
SMILESCCC(Nc1nc(NC(C)=O)nc(C(C)F)n1)c1cccs1
InChIInChI=1S/C14H18FN5OS/c1-4-10(11-6-5-7-22-11)17-14-19-12(8(2)15)18-13(20-14)16-9(3)21/h5-8,10H,4H2,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyAMSXNNIWMRREER-UHFFFAOYSA-N
XLogP3.49
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide (CID 59874319) is N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide is CCC(Nc1nc(NC(C)=O)nc(C(C)F)n1)c1cccs1.
What is the InChIKey of N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide?
The InChIKey is AMSXNNIWMRREER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5OS/c1-4-10(11-6-5-7-22-11)17-14-19-12(8(2)15)18-13(20-14)16-9(3)21/h5-8,10H,4H2,1-3H3,(H2,16,17,18,19,20,21).
What are the key properties of N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide?
N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 59874319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).