N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide

C15H20BrN5OS — CID 22090984

IUPACN-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCCC(CCc1ccc(Br)s1)Nc1nc(C)nc(NC(C)=O)n1
InChIInChI=1S/C15H20BrN5OS/c1-4-11(5-6-12-7-8-13(16)23-12)20-15-18-9(2)17-14(21-15)19-10(3)22/h7-8,11H,4-6H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyWXYQZPVIYLUDFO-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.79
Rot. Bonds7

About N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide

N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 22090984) has the molecular formula C15H20BrN5OS and a molecular weight of 398.33 g/mol. Its IUPAC name is N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID22090984
Molecular FormulaC15H20BrN5OS
Molecular Weight398.33 g/mol
Exact Mass397.06
IUPAC NameN-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCCC(CCc1ccc(Br)s1)Nc1nc(C)nc(NC(C)=O)n1
InChIInChI=1S/C15H20BrN5OS/c1-4-11(5-6-12-7-8-13(16)23-12)20-15-18-9(2)17-14(21-15)19-10(3)22/h7-8,11H,4-6H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyWXYQZPVIYLUDFO-UHFFFAOYSA-N
XLogP3.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22090905
N-[4-methyl-6-[4-(5-methylthiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide
CID 22091002
N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874359
N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874384
N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090942
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 160849117
N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 22965457
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
CID 21856
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
5-(5-bromothiophen-2-yl)pentane-2,3-diol
CID 83935049
N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874334

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 22090984) is N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is CCC(CCc1ccc(Br)s1)Nc1nc(C)nc(NC(C)=O)n1.
What is the InChIKey of N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is WXYQZPVIYLUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5OS/c1-4-11(5-6-12-7-8-13(16)23-12)20-15-18-9(2)17-14(21-15)19-10(3)22/h7-8,11H,4-6H2,1-3H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 398.33 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 22090984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).