2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C19H18N4O3S — CID 46941036

IUPAC2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2c(C)nc3sc(-c4ccc(OC)c(OC)c4)nn23)cn1
InChIInChI=1S/C19H18N4O3S/c1-11-17(13-6-8-16(26-4)20-10-13)23-19(21-11)27-18(22-23)12-5-7-14(24-2)15(9-12)25-3/h5-10H,1-4H3
InChIKeyZMXPAPWWMBZNTB-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.85
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole

2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 46941036) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID46941036
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2c(C)nc3sc(-c4ccc(OC)c(OC)c4)nn23)cn1
InChIInChI=1S/C19H18N4O3S/c1-11-17(13-6-8-16(26-4)20-10-13)23-19(21-11)27-18(22-23)12-5-7-14(24-2)15(9-12)25-3/h5-10H,1-4H3
InChIKeyZMXPAPWWMBZNTB-UHFFFAOYSA-N
XLogP3.85
TPSA70.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 46941036) is 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(-c2c(C)nc3sc(-c4ccc(OC)c(OC)c4)nn23)cn1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZMXPAPWWMBZNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-11-17(13-6-8-16(26-4)20-10-13)23-19(21-11)27-18(22-23)12-5-7-14(24-2)15(9-12)25-3/h5-10H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 382.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(6-methoxy-3-pyridinyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 46941036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).