3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C19H15N3O2S2 — CID 1288870

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCCO5)n23)cc1
InChIInChI=1S/C19H15N3O2S2/c1-2-4-14(5-3-1)15-12-26-19-21-20-18(22(15)19)25-11-13-6-7-16-17(10-13)24-9-8-23-16/h1-7,10,12H,8-9,11H2
InChIKeyOTZDFDJHVMDPTA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.52
Rot. Bonds4

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 1288870) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID1288870
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCCO5)n23)cc1
InChIInChI=1S/C19H15N3O2S2/c1-2-4-14(5-3-1)15-12-26-19-21-20-18(22(15)19)25-11-13-6-7-16-17(10-13)24-9-8-23-16/h1-7,10,12H,8-9,11H2
InChIKeyOTZDFDJHVMDPTA-UHFFFAOYSA-N
XLogP4.52
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 2243202
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone
CID 983998
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone
CID 1289729
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1085106
Thiazolo(3,2-b)(1,2,4)triazole, 3-(1,3-benzodioxol-5-yl)-6-phenyl-
CID 3072099
Thiazolo(2,3-c)-1,2,4-triazole, 5-phenyl-3-(3,4,5-trimethoxyphenyl)-
CID 3072109
Thiazolo(2,3-c)-1,2,4-triazole, 5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-
CID 3072111
Thiazolo(2,3-c)-1,2,4-triazole, 5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-
CID 3072112
Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-phenyl-
CID 3072113
Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-
CID 3072115
Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-
CID 3072116
6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 9507010

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 1288870) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is c1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCCO5)n23)cc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is OTZDFDJHVMDPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-2-4-14(5-3-1)15-12-26-19-21-20-18(22(15)19)25-11-13-6-7-16-17(10-13)24-9-8-23-16/h1-7,10,12H,8-9,11H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 381.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 1288870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).