7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C13H15N3OS — CID 3239981

IUPAC7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCCC1SC2=NCN(c3ccccc3)CN2C1=O
InChIInChI=1S/C13H15N3OS/c1-2-11-12(17)16-9-15(8-14-13(16)18-11)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyXRSBEBNTTLQZSP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.13
Rot. Bonds2

About 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 3239981) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID3239981
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCCC1SC2=NCN(c3ccccc3)CN2C1=O
InChIInChI=1S/C13H15N3OS/c1-2-11-12(17)16-9-15(8-14-13(16)18-11)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyXRSBEBNTTLQZSP-UHFFFAOYSA-N
XLogP2.13
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 3239981) is 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is CCC1SC2=NCN(c3ccccc3)CN2C1=O.
What is the InChIKey of 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is XRSBEBNTTLQZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-11-12(17)16-9-15(8-14-13(16)18-11)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 261.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 3239981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).