3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H13N5OS2 — CID 39341739

IUPAC3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nnc3sc(Cc4csc(C)n4)nn23)cc1
InChIInChI=1S/C15H13N5OS2/c1-9-16-11(8-22-9)7-13-19-20-14(17-18-15(20)23-13)10-3-5-12(21-2)6-4-10/h3-6,8H,7H2,1-2H3
InChIKeyCEJMGVAUCRFEQF-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.22
Rot. Bonds4

About 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 39341739) has the molecular formula C15H13N5OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID39341739
Molecular FormulaC15H13N5OS2
Molecular Weight343.44 g/mol
Exact Mass343.06
IUPAC Name3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nnc3sc(Cc4csc(C)n4)nn23)cc1
InChIInChI=1S/C15H13N5OS2/c1-9-16-11(8-22-9)7-13-19-20-14(17-18-15(20)23-13)10-3-5-12(21-2)6-4-10/h3-6,8H,7H2,1-2H3
InChIKeyCEJMGVAUCRFEQF-UHFFFAOYSA-N
XLogP3.22
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51048558
6-(chloromethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 176898539
6-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985692
4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56762577
6-[(2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4897427
3-(4-methoxyphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841813
3-(4-methoxyphenyl)-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841812
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929794
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 854617
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666433
3-(3,4-dimethoxyphenyl)-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163918
(1R,2S,3R,4S)-1,4-bis[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butane-1,2,3,4-tetrol
CID 10393462

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 39341739) is 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(-c2nnc3sc(Cc4csc(C)n4)nn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CEJMGVAUCRFEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS2/c1-9-16-11(8-22-9)7-13-19-20-14(17-18-15(20)23-13)10-3-5-12(21-2)6-4-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 343.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 39341739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).