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

C13H16BrN5OS — CID 59874359

IUPACN-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)c2ccc(Br)s2)n1
InChIInChI=1S/C13H16BrN5OS/c1-4-11(20)18-13-17-8(3)16-12(19-13)15-7(2)9-5-6-10(14)21-9/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWFRXPYJAUUGWRJ-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.53
Rot. Bonds5

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

N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (PubChem CID 59874359) has the molecular formula C13H16BrN5OS and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
PubChem CID59874359
Molecular FormulaC13H16BrN5OS
Molecular Weight370.28 g/mol
Exact Mass369.03
IUPAC NameN-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)c2ccc(Br)s2)n1
InChIInChI=1S/C13H16BrN5OS/c1-4-11(20)18-13-17-8(3)16-12(19-13)15-7(2)9-5-6-10(14)21-9/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWFRXPYJAUUGWRJ-UHFFFAOYSA-N
XLogP3.53
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(3-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874303
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874284
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-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874272
N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090984
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090983
N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
CID 43677299
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
CID 61000928
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
CID 43677288
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60999470

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (CID 59874359) is N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C)nc(NC(C)c2ccc(Br)s2)n1.
What is the InChIKey of N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The InChIKey is WFRXPYJAUUGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5OS/c1-4-11(20)18-13-17-8(3)16-12(19-13)15-7(2)9-5-6-10(14)21-9/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19,20).
What are the key properties of N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide has a molecular weight of 370.28 g/mol, XLogP of 3.53, 5 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)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 59874359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).