6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

C19H17N3O3S — CID 2816973

IUPAC6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3cc(-c4ccccc4)nc3s2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S/c1-23-15-9-13(10-16(24-2)17(15)25-3)18-21-22-11-14(20-19(22)26-18)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyFJKQSGSTGKTSGM-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.15
Rot. Bonds5

About 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 2816973) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID2816973
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3cc(-c4ccccc4)nc3s2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S/c1-23-15-9-13(10-16(24-2)17(15)25-3)18-21-22-11-14(20-19(22)26-18)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyFJKQSGSTGKTSGM-UHFFFAOYSA-N
XLogP4.15
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-Dimethoxyphenyl)-3-pyridin-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
CID 662931
3-Pyridin-3-yl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663279
2-Methoxy-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 132051232
6-[4-(Difluoromethoxy)phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051310
2-Methoxy-6-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 132051314
Imidazo(2,1-b)-1,3,4-thiadiazole, 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 353723
6-(4-Methoxyphenyl)-2-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazole
CID 3006244
6-(4-Ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 7539874
6-(3-Methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16014731
6(4Isopropoxyphenyl)2methylimidazo[2,1b][1,3,4]thiadiazole
CID 16014733
6-(3,5-Dimethoxyphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 25020909
4-[2-(4-Methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol
CID 71454617

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 2816973) is 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(-c2nn3cc(-c4ccccc4)nc3s2)cc(OC)c1OC.
What is the InChIKey of 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is FJKQSGSTGKTSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-23-15-9-13(10-16(24-2)17(15)25-3)18-21-22-11-14(20-19(22)26-18)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 367.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 2816973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).