N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide

C12H19N5O2S — CID 172749856

IUPACN-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(SC)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C12H19N5O2S/c1-6-16(8(3)18)10-13-11(15-12(14-10)20-5)17(7-2)9(4)19/h6-7H2,1-5H3
InChIKeyKFJUPHAJMPUQNU-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.34
Rot. Bonds5

About N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide

N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide (PubChem CID 172749856) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide
PubChem CID172749856
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(SC)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C12H19N5O2S/c1-6-16(8(3)18)10-13-11(15-12(14-10)20-5)17(7-2)9(4)19/h6-7H2,1-5H3
InChIKeyKFJUPHAJMPUQNU-UHFFFAOYSA-N
XLogP1.34
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide (CID 172749856) is N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(SC)nc(N(CC)C(C)=O)n1.
What is the InChIKey of N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide?
The InChIKey is KFJUPHAJMPUQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-6-16(8(3)18)10-13-11(15-12(14-10)20-5)17(7-2)9(4)19/h6-7H2,1-5H3.
What are the key properties of N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide?
N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide has a molecular weight of 297.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(ethyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-ethylacetamide is sourced from PubChem (CID 172749856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).