7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

C12H11N3OS — CID 13203734

IUPAC7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCC1Cn2c(nnc(-c3ccccc3)c2=O)S1
InChIInChI=1S/C12H11N3OS/c1-8-7-15-11(16)10(13-14-12(15)17-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyVYVVIJZHYLKXMB-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.80
Rot. Bonds1

About 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 13203734) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID13203734
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCC1Cn2c(nnc(-c3ccccc3)c2=O)S1
InChIInChI=1S/C12H11N3OS/c1-8-7-15-11(16)10(13-14-12(15)17-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyVYVVIJZHYLKXMB-UHFFFAOYSA-N
XLogP1.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3845245
5H-Thiazolo(3,2-a)pyrimidin-5-one, 2,3,6,7-tetrahydro-7-phenyl-
CID 3067452
(2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118713910
(2E)-3-benzyl-2-[(Z)-butan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714704
(2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714705
(2E)-3-benzyl-2-(1-ethylpropylidenehydrazono)thiazolidin-4-one
CID 118714706
(2E)-3-benzyl-2-[(Z)-octan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714712
(2E)-5-benzyl-2-[(Z)-benzylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5829830
6-Phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 13169728
Sdccgsbi-0087970.P001
CID 9586095
4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
CID 560485
3-Phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 13169722

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one (CID 13203734) is 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one is CC1Cn2c(nnc(-c3ccccc3)c2=O)S1.
What is the InChIKey of 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is VYVVIJZHYLKXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-8-7-15-11(16)10(13-14-12(15)17-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 245.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13203734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).