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

C13H23N3OS — CID 62706696

IUPAC3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol
SMILESCC(C)c1nsc(N2CCC(CCCO)CC2)n1
InChIInChI=1S/C13H23N3OS/c1-10(2)12-14-13(18-15-12)16-7-5-11(6-8-16)4-3-9-17/h10-11,17H,3-9H2,1-2H3
InChIKeyVNQWNUPPBBYPKS-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.65
Rot. Bonds5

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

3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol (PubChem CID 62706696) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol
PubChem CID62706696
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol
SMILESCC(C)c1nsc(N2CCC(CCCO)CC2)n1
InChIInChI=1S/C13H23N3OS/c1-10(2)12-14-13(18-15-12)16-7-5-11(6-8-16)4-3-9-17/h10-11,17H,3-9H2,1-2H3
InChIKeyVNQWNUPPBBYPKS-UHFFFAOYSA-N
XLogP2.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol (CID 62706696) is 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol is CC(C)c1nsc(N2CCC(CCCO)CC2)n1.
What is the InChIKey of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol?
The InChIKey is VNQWNUPPBBYPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(2)12-14-13(18-15-12)16-7-5-11(6-8-16)4-3-9-17/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol?
3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 62706696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).