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

C19H15N7O2S — CID 167931602

IUPACN-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1noc(COc2ccc(Nc3nn4cc(-c5cccnc5)nc4s3)cc2)n1
InChIInChI=1S/C19H15N7O2S/c1-12-21-17(28-25-12)11-27-15-6-4-14(5-7-15)22-18-24-26-10-16(23-19(26)29-18)13-3-2-8-20-9-13/h2-10H,11H2,1H3,(H,22,24)
InChIKeyXCLABWOQYOIJFY-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.87
Rot. Bonds6

About 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

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 (PubChem CID 167931602) has the molecular formula C19H15N7O2S and a molecular weight of 405.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID167931602
Molecular FormulaC19H15N7O2S
Molecular Weight405.44 g/mol
Exact Mass405.10
IUPAC NameN-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1noc(COc2ccc(Nc3nn4cc(-c5cccnc5)nc4s3)cc2)n1
InChIInChI=1S/C19H15N7O2S/c1-12-21-17(28-25-12)11-27-15-6-4-14(5-7-15)22-18-24-26-10-16(23-19(26)29-18)13-3-2-8-20-9-13/h2-10H,11H2,1H3,(H,22,24)
InChIKeyXCLABWOQYOIJFY-UHFFFAOYSA-N
XLogP3.87
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
N-(3,5-dimethylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462718
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
CID 133462654
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
2-(4-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]acetamide
CID 133476321
2-[2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclopentyl]ethanol
CID 133496512
N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463161
1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133462572
N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462641
4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 167862565
5-[(4-tert-butylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1085872

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(COc2ccc(Nc3nn4cc(-c5cccnc5)nc4s3)cc2)n1.
What is the InChIKey of 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?
The InChIKey is XCLABWOQYOIJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O2S/c1-12-21-17(28-25-12)11-27-15-6-4-14(5-7-15)22-18-24-26-10-16(23-19(26)29-18)13-3-2-8-20-9-13/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of 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?
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 has a molecular weight of 405.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167931602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).