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

C20H14N4S2 — CID 2815978

IUPAC6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(-c2ccc(C3=Nn4c(nnc4-c4cccs4)SC3)cc2)cc1
InChIInChI=1S/C20H14N4S2/c1-2-5-14(6-3-1)15-8-10-16(11-9-15)17-13-26-20-22-21-19(24(20)23-17)18-7-4-12-25-18/h1-12H,13H2
InChIKeyWAYXXANMOSKOGB-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.03
Rot. Bonds3

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

6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 2815978) has the molecular formula C20H14N4S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID2815978
Molecular FormulaC20H14N4S2
Molecular Weight374.49 g/mol
Exact Mass374.07
IUPAC Name6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(-c2ccc(C3=Nn4c(nnc4-c4cccs4)SC3)cc2)cc1
InChIInChI=1S/C20H14N4S2/c1-2-5-14(6-3-1)15-8-10-16(11-9-15)17-13-26-20-22-21-19(24(20)23-17)18-7-4-12-25-18/h1-12H,13H2
InChIKeyWAYXXANMOSKOGB-UHFFFAOYSA-N
XLogP5.03
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine with MolForge

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Related Compounds

3-(3-methylphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662651
3-Benzyl-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848719
4-(Phenylmethyl)-3-[(phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazole
CID 11405834
3-(4-methylphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 4440751
6-(4-ethylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 2999101
6-(4-chlorophenyl)-3-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 736534
3-Phenyl-6-(4,5,6,7-tetrahydro-1-benzothien-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3242447
6-(1-Phenylpropyl)-3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6493903
4-Benzyl-3-(2-naphthylmethylsulfanyl)-5-(3-thienyl)-1,2,4-triazole
CID 44446048
3-Phenyl-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662711
3-(cinnamylthio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
CID 1588904
3,6-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 736621

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 2815978) is 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is c1ccc(-c2ccc(C3=Nn4c(nnc4-c4cccs4)SC3)cc2)cc1.
What is the InChIKey of 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is WAYXXANMOSKOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S2/c1-2-5-14(6-3-1)15-8-10-16(11-9-15)17-13-26-20-22-21-19(24(20)23-17)18-7-4-12-25-18/h1-12H,13H2.
What are the key properties of 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 374.49 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 2815978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).