2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole

C18H19N3O3S — CID 15018838

IUPAC2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(COc2ccc(OCC(C)Oc3ccccn3)cc2)s1
InChIInChI=1S/C18H19N3O3S/c1-13(24-17-5-3-4-10-19-17)11-22-15-6-8-16(9-7-15)23-12-18-21-20-14(2)25-18/h3-10,13H,11-12H2,1-2H3
InChIKeySTOBPGCMGWGHEG-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.67
Rot. Bonds8

About 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole

2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole (PubChem CID 15018838) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole
PubChem CID15018838
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(COc2ccc(OCC(C)Oc3ccccn3)cc2)s1
InChIInChI=1S/C18H19N3O3S/c1-13(24-17-5-3-4-10-19-17)11-22-15-6-8-16(9-7-15)23-12-18-21-20-14(2)25-18/h3-10,13H,11-12H2,1-2H3
InChIKeySTOBPGCMGWGHEG-UHFFFAOYSA-N
XLogP3.67
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-phenoxypropan-2-yloxy)pyridine
CID 67893782
2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine
CID 13386745
2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine
CID 155936378
(2R)-2-pyridin-2-yloxypropan-1-amine
CID 51684255
octadecanoic acid;2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 175424671
2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole
CID 164653697
2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine
CID 15764663
6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol
CID 162919381
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine
CID 65209436
2-pyridin-2-yloxypropanal
CID 173353438
2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine
CID 22247739
2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
CID 80611604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole (CID 15018838) is 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole is Cc1nnc(COc2ccc(OCC(C)Oc3ccccn3)cc2)s1.
What is the InChIKey of 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole?
The InChIKey is STOBPGCMGWGHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13(24-17-5-3-4-10-19-17)11-22-15-6-8-16(9-7-15)23-12-18-21-20-14(2)25-18/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole?
2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole has a molecular weight of 357.44 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 15018838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).