5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

C23H17N3S2 — CID 132991713

IUPAC5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1ccc(Sc2sc3nc(-c4ccccc4)nn3c2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3S2/c1-16-12-14-19(15-13-16)27-22-20(17-8-4-2-5-9-17)26-23(28-22)24-21(25-26)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyYMFHILBDQQBSSF-UHFFFAOYSA-N
MW399.54 g/mol
LogP6.58
Rot. Bonds4

About 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 132991713) has the molecular formula C23H17N3S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID132991713
Molecular FormulaC23H17N3S2
Molecular Weight399.54 g/mol
Exact Mass399.09
IUPAC Name5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1ccc(Sc2sc3nc(-c4ccccc4)nn3c2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3S2/c1-16-12-14-19(15-13-16)27-22-20(17-8-4-2-5-9-17)26-23(28-22)24-21(25-26)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyYMFHILBDQQBSSF-UHFFFAOYSA-N
XLogP6.58
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140904949
(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene
CID 14920703
7,7-dimethyl-2-(4-methylphenyl)-6,8-dihydro-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-5-one
CID 697443
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole
CID 12846883
(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804279
(5Z)-2-(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2139191
5-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4094129
(5Z)-2-(4-fluorophenyl)-5-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 931377
(5Z)-2-(4-methylphenyl)-5-[(3-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852897
5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165473676
4-[4-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 140904927

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 132991713) is 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1ccc(Sc2sc3nc(-c4ccccc4)nn3c2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is YMFHILBDQQBSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3S2/c1-16-12-14-19(15-13-16)27-22-20(17-8-4-2-5-9-17)26-23(28-22)24-21(25-26)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 399.54 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfanyl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 132991713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).