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

C18H15N3S — CID 71552988

IUPAC5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1ccc(-c2sc3ncnn3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H15N3S/c1-12-3-7-14(8-4-12)16-17(15-9-5-13(2)6-10-15)22-18-19-11-20-21(16)18/h3-11H,1-2H3
InChIKeyATASHIQXOIMKAK-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.74
Rot. Bonds2

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

5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 71552988) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID71552988
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1ccc(-c2sc3ncnn3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H15N3S/c1-12-3-7-14(8-4-12)16-17(15-9-5-13(2)6-10-15)22-18-19-11-20-21(16)18/h3-11H,1-2H3
InChIKeyATASHIQXOIMKAK-UHFFFAOYSA-N
XLogP4.74
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 71552920
3-(4-methylphenyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 142129506
(4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone
CID 3737291
2,3-bis(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 13353786
5-[(R)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7172850
6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carbaldehyde
CID 87610709
5-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4049117
5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4092559
5-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4280249
4-[8-(4-methylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
CID 123563663
5-[(R)-(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2148989
methyl 1-[(S)-(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 2148941

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 71552988) is 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1ccc(-c2sc3ncnn3c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is ATASHIQXOIMKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-12-3-7-14(8-4-12)16-17(15-9-5-13(2)6-10-15)22-18-19-11-20-21(16)18/h3-11H,1-2H3.
What are the key properties of 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 305.41 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 71552988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).