N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H15F2N5OS — CID 133463161

IUPACN-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOCC(Nc1nn2cc(-c3cccnc3)nc2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N5OS/c1-26-10-16(11-4-5-13(19)14(20)7-11)22-17-24-25-9-15(23-18(25)27-17)12-3-2-6-21-8-12/h2-9,16H,10H2,1H3,(H,22,24)
InChIKeyHNYNNNNHUISUML-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.93
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133463161) has the molecular formula C18H15F2N5OS and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133463161
Molecular FormulaC18H15F2N5OS
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOCC(Nc1nn2cc(-c3cccnc3)nc2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N5OS/c1-26-10-16(11-4-5-13(19)14(20)7-11)22-17-24-25-9-15(23-18(25)27-17)12-3-2-6-21-8-12/h2-9,16H,10H2,1H3,(H,22,24)
InChIKeyHNYNNNNHUISUML-UHFFFAOYSA-N
XLogP3.93
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-3-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
CID 133463081
2-(4-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]acetamide
CID 133476321
2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
CID 133462654
N-(3,5-dimethylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462718
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
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463703
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167931602
N-(2-ethoxyethyl)-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463120
N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67108322

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133463161) is N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is COCC(Nc1nn2cc(-c3cccnc3)nc2s1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is HNYNNNNHUISUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5OS/c1-26-10-16(11-4-5-13(19)14(20)7-11)22-17-24-25-9-15(23-18(25)27-17)12-3-2-6-21-8-12/h2-9,16H,10H2,1H3,(H,22,24).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 387.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133463161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).