N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide

C14H18N6OS — CID 7810165

IUPACN-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(N)nc(N)n1
InChIInChI=1S/C14H18N6OS/c1-2-20(8-10-6-4-3-5-7-10)11(21)9-22-14-18-12(15)17-13(16)19-14/h3-7H,2,8-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyBTVOACYRNYRGPL-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.18
Rot. Bonds6

About N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide

N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide (PubChem CID 7810165) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
PubChem CID7810165
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC NameN-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(N)nc(N)n1
InChIInChI=1S/C14H18N6OS/c1-2-20(8-10-6-4-3-5-7-10)11(21)9-22-14-18-12(15)17-13(16)19-14/h3-7H,2,8-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyBTVOACYRNYRGPL-UHFFFAOYSA-N
XLogP1.18
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-ethylacetamide
CID 16533833
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-ethylacetamide
CID 60732754
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylacetamide
CID 8010924
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989
N-benzhydryl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-methylacetamide
CID 112777620
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007805
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 3640790
N-benzyl-N-ethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 18073934

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide (CID 7810165) is N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CSc1nc(N)nc(N)n1.
What is the InChIKey of N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide?
The InChIKey is BTVOACYRNYRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-2-20(8-10-6-4-3-5-7-10)11(21)9-22-14-18-12(15)17-13(16)19-14/h3-7H,2,8-9H2,1H3,(H4,15,16,17,18,19).
What are the key properties of N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide?
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide has a molecular weight of 318.41 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide is sourced from PubChem (CID 7810165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).