2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole

C15H19N3O2S — CID 118728536

IUPAC2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole
SMILESCOc1ccc(OC)c(-c2nnc(N3CCCCC3)s2)c1
InChIInChI=1S/C15H19N3O2S/c1-19-11-6-7-13(20-2)12(10-11)14-16-17-15(21-14)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyPOLFGLNASFOBHC-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.21
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole

2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole (PubChem CID 118728536) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole
PubChem CID118728536
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole
SMILESCOc1ccc(OC)c(-c2nnc(N3CCCCC3)s2)c1
InChIInChI=1S/C15H19N3O2S/c1-19-11-6-7-13(20-2)12(10-11)14-16-17-15(21-14)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyPOLFGLNASFOBHC-UHFFFAOYSA-N
XLogP3.21
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole (CID 118728536) is 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole is COc1ccc(OC)c(-c2nnc(N3CCCCC3)s2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole?
The InChIKey is POLFGLNASFOBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-19-11-6-7-13(20-2)12(10-11)14-16-17-15(21-14)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole?
2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole has a molecular weight of 305.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-piperidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 118728536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).