1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one

C11H14N4OS — CID 57308007

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one
SMILESCCc1ccc(Cn2cnc(NC)nc2=O)s1
InChIInChI=1S/C11H14N4OS/c1-3-8-4-5-9(17-8)6-15-7-13-10(12-2)14-11(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14,16)
InChIKeyISZDDMMEJFDGFS-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.35
Rot. Bonds4

About 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one

1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one (PubChem CID 57308007) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one
PubChem CID57308007
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one
SMILESCCc1ccc(Cn2cnc(NC)nc2=O)s1
InChIInChI=1S/C11H14N4OS/c1-3-8-4-5-9(17-8)6-15-7-13-10(12-2)14-11(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14,16)
InChIKeyISZDDMMEJFDGFS-UHFFFAOYSA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one (CID 57308007) is 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one is CCc1ccc(Cn2cnc(NC)nc2=O)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one?
The InChIKey is ISZDDMMEJFDGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-8-4-5-9(17-8)6-15-7-13-10(12-2)14-11(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14,16).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one?
1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one has a molecular weight of 250.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one is sourced from PubChem (CID 57308007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).