2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole

C18H12F2N4O2S — CID 155087019

IUPAC2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole
SMILESFC(F)Oc1ccc(C(Oc2ccc3ncccc3c2)c2nncs2)nc1
InChIInChI=1S/C18H12F2N4O2S/c19-18(20)26-13-4-6-15(22-9-13)16(17-24-23-10-27-17)25-12-3-5-14-11(8-12)2-1-7-21-14/h1-10,16,18H
InChIKeyKUJSQCIHXNXHAL-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.25
Rot. Bonds6

About 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole

2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole (PubChem CID 155087019) has the molecular formula C18H12F2N4O2S and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole
PubChem CID155087019
Molecular FormulaC18H12F2N4O2S
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC Name2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole
SMILESFC(F)Oc1ccc(C(Oc2ccc3ncccc3c2)c2nncs2)nc1
InChIInChI=1S/C18H12F2N4O2S/c19-18(20)26-13-4-6-15(22-9-13)16(17-24-23-10-27-17)25-12-3-5-14-11(8-12)2-1-7-21-14/h1-10,16,18H
InChIKeyKUJSQCIHXNXHAL-UHFFFAOYSA-N
XLogP4.25
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole with MolForge

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Related Compounds

5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole
CID 138517407
5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole
CID 155087016
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol
CID 155087050
ethene;6-methoxyquinoline
CID 174599262
5-quinolin-6-yloxythiatriazole
CID 116820231
N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine
CID 155087009
6-phosphorosooxyquinoline
CID 21130862
quinolin-6-yl formate
CID 57289431
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
6-(1-piperidin-4-ylethoxy)quinoline
CID 117051472
6-prop-2-enoxyquinoline
CID 21107330

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole (CID 155087019) is 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole is FC(F)Oc1ccc(C(Oc2ccc3ncccc3c2)c2nncs2)nc1.
What is the InChIKey of 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole?
The InChIKey is KUJSQCIHXNXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S/c19-18(20)26-13-4-6-15(22-9-13)16(17-24-23-10-27-17)25-12-3-5-14-11(8-12)2-1-7-21-14/h1-10,16,18H.
What are the key properties of 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole?
2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole has a molecular weight of 386.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 155087019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).