1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol

C15H19N3O3S — CID 118728533

IUPAC1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
SMILESCOc1ccc(OC)c(-c2nnc(N3CCCC(O)C3)s2)c1
InChIInChI=1S/C15H19N3O3S/c1-20-11-5-6-13(21-2)12(8-11)14-16-17-15(22-14)18-7-3-4-10(19)9-18/h5-6,8,10,19H,3-4,7,9H2,1-2H3
InChIKeyNKHXPFTYDBSZSE-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.18
Rot. Bonds4

About 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol

1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol (PubChem CID 118728533) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
PubChem CID118728533
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
SMILESCOc1ccc(OC)c(-c2nnc(N3CCCC(O)C3)s2)c1
InChIInChI=1S/C15H19N3O3S/c1-20-11-5-6-13(21-2)12(8-11)14-16-17-15(22-14)18-7-3-4-10(19)9-18/h5-6,8,10,19H,3-4,7,9H2,1-2H3
InChIKeyNKHXPFTYDBSZSE-UHFFFAOYSA-N
XLogP2.18
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol (CID 118728533) is 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol is COc1ccc(OC)c(-c2nnc(N3CCCC(O)C3)s2)c1.
What is the InChIKey of 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol?
The InChIKey is NKHXPFTYDBSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-11-5-6-13(21-2)12(8-11)14-16-17-15(22-14)18-7-3-4-10(19)9-18/h5-6,8,10,19H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol?
1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol has a molecular weight of 321.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 118728533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).