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

C14H19N5OS — CID 59874284

IUPACN-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)c2sccc2C)n1
InChIInChI=1S/C14H19N5OS/c1-5-11(20)18-14-17-10(4)16-13(19-14)15-9(3)12-8(2)6-7-21-12/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18,19,20)
InChIKeyUNEYTTVYJHWBGU-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.07
Rot. Bonds5

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

N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide (PubChem CID 59874284) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
PubChem CID59874284
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)c2sccc2C)n1
InChIInChI=1S/C14H19N5OS/c1-5-11(20)18-14-17-10(4)16-13(19-14)15-9(3)12-8(2)6-7-21-12/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18,19,20)
InChIKeyUNEYTTVYJHWBGU-UHFFFAOYSA-N
XLogP3.07
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.07
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
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874303
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-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874327
N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874334
N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090956
N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874384
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090983
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63991666
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
CID 43786026

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide (CID 59874284) is N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C)nc(NC(C)c2sccc2C)n1.
What is the InChIKey of N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide?
The InChIKey is UNEYTTVYJHWBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-5-11(20)18-14-17-10(4)16-13(19-14)15-9(3)12-8(2)6-7-21-12/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18,19,20).
What are the key properties of N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide?
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide has a molecular weight of 305.41 g/mol, XLogP of 3.07, 5 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)ethylamino]-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 59874284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).