6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C15H14N4OS — CID 3977370

IUPAC6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCC(C)c1nnc2n1N=C(c1cc3ccccc3o1)CS2
InChIInChI=1S/C15H14N4OS/c1-9(2)14-16-17-15-19(14)18-11(8-21-15)13-7-10-5-3-4-6-12(10)20-13/h3-7,9H,8H2,1-2H3
InChIKeyVOQUPAVCAAULTH-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.51
Rot. Bonds2

About 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 3977370) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID3977370
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCC(C)c1nnc2n1N=C(c1cc3ccccc3o1)CS2
InChIInChI=1S/C15H14N4OS/c1-9(2)14-16-17-15-19(14)18-11(8-21-15)13-7-10-5-3-4-6-12(10)20-13/h3-7,9H,8H2,1-2H3
InChIKeyVOQUPAVCAAULTH-UHFFFAOYSA-N
XLogP3.51
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 56736484
3-[3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]chromen-2-one
CID 22588383
3-[6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]chromen-2-one
CID 3074608
3-[3-[(4-methylsulfonylphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]chromen-2-one
CID 66572266
(1S,2R,3R,4R)-1-[6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentane-1,2,3,4,5-pentol
CID 11826357
3-(4-methoxyphenyl)-6-naphthalen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3840487
5-(1-benzofuran-2-yl)-N-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135529249
5-(1-benzofuran-2-yl)-1-methyltetrazole
CID 57215043
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62921982
4-[[5-(1-benzofuran-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 135512311
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 3977370) is 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CC(C)c1nnc2n1N=C(c1cc3ccccc3o1)CS2.
What is the InChIKey of 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is VOQUPAVCAAULTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9(2)14-16-17-15-19(14)18-11(8-21-15)13-7-10-5-3-4-6-12(10)20-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 298.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 3977370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).