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

C15H21N5OS — CID 59874272

IUPACN-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(CC)c2sccc2C)n1
InChIInChI=1S/C15H21N5OS/c1-5-11(13-9(3)7-8-22-13)18-14-16-10(4)17-15(20-14)19-12(21)6-2/h7-8,11H,5-6H2,1-4H3,(H2,16,17,18,19,20,21)
InChIKeyXLZNBTRXSKZOCU-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.46
Rot. Bonds6

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

N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide (PubChem CID 59874272) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide
PubChem CID59874272
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(CC)c2sccc2C)n1
InChIInChI=1S/C15H21N5OS/c1-5-11(13-9(3)7-8-22-13)18-14-16-10(4)17-15(20-14)19-12(21)6-2/h7-8,11H,5-6H2,1-4H3,(H2,16,17,18,19,20,21)
InChIKeyXLZNBTRXSKZOCU-UHFFFAOYSA-N
XLogP3.46
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874384
N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874334
methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 160849117
N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874359
N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090956
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090983
N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874327
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
CID 50940930
N-[4-methyl-6-[1-[(4-nitrophenyl)methoxy]butan-2-ylamino]-1,3,5-triazin-2-yl]propanamide
CID 21349422

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide (CID 59874272) is N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C)nc(NC(CC)c2sccc2C)n1.
What is the InChIKey of N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide?
The InChIKey is XLZNBTRXSKZOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-5-11(13-9(3)7-8-22-13)18-14-16-10(4)17-15(20-14)19-12(21)6-2/h7-8,11H,5-6H2,1-4H3,(H2,16,17,18,19,20,21).
What are the key properties of N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide?
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide has a molecular weight of 319.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 59874272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).