N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide

C13H16FN5OS — CID 59874384

IUPACN-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCCC(Nc1nc(C)nc(NC(C)=O)n1)c1sccc1F
InChIInChI=1S/C13H16FN5OS/c1-4-10(11-9(14)5-6-21-11)18-13-16-7(2)15-12(19-13)17-8(3)20/h5-6,10H,4H2,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWXDJXQFOPQEVGO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.90
Rot. Bonds5

About N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide

N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 59874384) has the molecular formula C13H16FN5OS and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID59874384
Molecular FormulaC13H16FN5OS
Molecular Weight309.37 g/mol
Exact Mass309.11
IUPAC NameN-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCCC(Nc1nc(C)nc(NC(C)=O)n1)c1sccc1F
InChIInChI=1S/C13H16FN5OS/c1-4-10(11-9(14)5-6-21-11)18-13-16-7(2)15-12(19-13)17-8(3)20/h5-6,10H,4H2,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWXDJXQFOPQEVGO-UHFFFAOYSA-N
XLogP2.90
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874272
methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 160849117
N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874327
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874284
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874303
N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090984
N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874334
N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874340
N-[4-methyl-6-[4-(5-methylthiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide
CID 22091002
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
CID 21856
N-[4-[1-(furan-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874367
N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]formamide
CID 22090972

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 59874384) is N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is CCC(Nc1nc(C)nc(NC(C)=O)n1)c1sccc1F.
What is the InChIKey of N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is WXDJXQFOPQEVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5OS/c1-4-10(11-9(14)5-6-21-11)18-13-16-7(2)15-12(19-13)17-8(3)20/h5-6,10H,4H2,1-3H3,(H2,15,16,17,18,19,20).
What are the key properties of N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 59874384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).