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

C14H18BrN5OS — CID 59874334

IUPACN-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(CC)c2cc(Br)cs2)n1
InChIInChI=1S/C14H18BrN5OS/c1-4-10(11-6-9(15)7-22-11)18-13-16-8(3)17-14(20-13)19-12(21)5-2/h6-7,10H,4-5H2,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyVNVOBTZTRVNPGS-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.92
Rot. Bonds6

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

N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (PubChem CID 59874334) has the molecular formula C14H18BrN5OS and a molecular weight of 384.30 g/mol. Its IUPAC name is N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
PubChem CID59874334
Molecular FormulaC14H18BrN5OS
Molecular Weight384.30 g/mol
Exact Mass383.04
IUPAC NameN-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(CC)c2cc(Br)cs2)n1
InChIInChI=1S/C14H18BrN5OS/c1-4-10(11-6-9(15)7-22-11)18-13-16-8(3)17-14(20-13)19-12(21)5-2/h6-7,10H,4-5H2,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyVNVOBTZTRVNPGS-UHFFFAOYSA-N
XLogP3.92
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.92
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
N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874359
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874284
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090983
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-methyl-6-[1-[(4-nitrophenyl)methoxy]butan-2-ylamino]-1,3,5-triazin-2-yl]propanamide
CID 21349422
2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
CID 61348164
N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 71332084
methyl 3-[2-[[4-methyl-6-(propanoylamino)-1,3,5-triazin-2-yl]amino]propoxymethyl]benzoate
CID 21349345
4-bromo-2-pentan-3-ylthiophene
CID 82390181

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (CID 59874334) is N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C)nc(NC(CC)c2cc(Br)cs2)n1.
What is the InChIKey of N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The InChIKey is VNVOBTZTRVNPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5OS/c1-4-10(11-6-9(15)7-22-11)18-13-16-8(3)17-14(20-13)19-12(21)5-2/h6-7,10H,4-5H2,1-3H3,(H2,16,17,18,19,20,21).
What are the key properties of N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide has a molecular weight of 384.30 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 59874334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).