2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide

C23H17N5O3S — CID 133462861

IUPAC2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C23H17N5O3S/c1-30-20-7-3-2-6-18(20)21(29)25-16-8-10-17(11-9-16)31-23-27-28-14-19(26-22(28)32-23)15-5-4-12-24-13-15/h2-14H,1H3,(H,25,29)
InChIKeyXNVIZBQNHIBOPD-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.91
Rot. Bonds6

About 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide

2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide (PubChem CID 133462861) has the molecular formula C23H17N5O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide
PubChem CID133462861
Molecular FormulaC23H17N5O3S
Molecular Weight443.49 g/mol
Exact Mass443.11
IUPAC Name2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C23H17N5O3S/c1-30-20-7-3-2-6-18(20)21(29)25-16-8-10-17(11-9-16)31-23-27-28-14-19(26-22(28)32-23)15-5-4-12-24-13-15/h2-14H,1H3,(H,25,29)
InChIKeyXNVIZBQNHIBOPD-UHFFFAOYSA-N
XLogP4.91
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133462572
2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462585
2-methoxy-N-(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245109
2-methoxy-N-(3-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245110
1-[3-chloro-4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133493825
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313
N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462980
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-6-yl)benzamide
CID 169245066
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide (CID 133462861) is 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(Oc2nn3cc(-c4cccnc4)nc3s2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide?
The InChIKey is XNVIZBQNHIBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3S/c1-30-20-7-3-2-6-18(20)21(29)25-16-8-10-17(11-9-16)31-23-27-28-14-19(26-22(28)32-23)15-5-4-12-24-13-15/h2-14H,1H3,(H,25,29).
What are the key properties of 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide?
2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide has a molecular weight of 443.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide is sourced from PubChem (CID 133462861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).