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

C16H23N5O2S — CID 138050513

IUPAC4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCn1ccnc1C1(O)CCN(c2nc(C3CCOCC3)ns2)CC1
InChIInChI=1S/C16H23N5O2S/c1-20-9-6-17-14(20)16(22)4-7-21(8-5-16)15-18-13(19-24-15)12-2-10-23-11-3-12/h6,9,12,22H,2-5,7-8,10-11H2,1H3
InChIKeyHUMHMZCILKUNBT-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.65
Rot. Bonds3

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

4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (PubChem CID 138050513) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
PubChem CID138050513
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCn1ccnc1C1(O)CCN(c2nc(C3CCOCC3)ns2)CC1
InChIInChI=1S/C16H23N5O2S/c1-20-9-6-17-14(20)16(22)4-7-21(8-5-16)15-18-13(19-24-15)12-2-10-23-11-3-12/h6,9,12,22H,2-5,7-8,10-11H2,1H3
InChIKeyHUMHMZCILKUNBT-UHFFFAOYSA-N
XLogP1.65
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-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 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (CID 138050513) is 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is Cn1ccnc1C1(O)CCN(c2nc(C3CCOCC3)ns2)CC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The InChIKey is HUMHMZCILKUNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-20-9-6-17-14(20)16(22)4-7-21(8-5-16)15-18-13(19-24-15)12-2-10-23-11-3-12/h6,9,12,22H,2-5,7-8,10-11H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol has a molecular weight of 349.46 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 138050513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).