1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol

C17H22ClN3OS — CID 163351860

IUPAC1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESCC(C)(C)c1nnc(N2CCC(O)(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C17H22ClN3OS/c1-16(2,3)14-19-20-15(23-14)21-10-8-17(22,9-11-21)12-4-6-13(18)7-5-12/h4-7,22H,8-11H2,1-3H3
InChIKeyBFSZAYOHDMKYAT-UHFFFAOYSA-N
MW351.90 g/mol
LogP3.98
Rot. Bonds2

About 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 163351860) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID163351860
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESCC(C)(C)c1nnc(N2CCC(O)(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C17H22ClN3OS/c1-16(2,3)14-19-20-15(23-14)21-10-8-17(22,9-11-21)12-4-6-13(18)7-5-12/h4-7,22H,8-11H2,1-3H3
InChIKeyBFSZAYOHDMKYAT-UHFFFAOYSA-N
XLogP3.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)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 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol (CID 163351860) is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol is CC(C)(C)c1nnc(N2CCC(O)(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is BFSZAYOHDMKYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3OS/c1-16(2,3)14-19-20-15(23-14)21-10-8-17(22,9-11-21)12-4-6-13(18)7-5-12/h4-7,22H,8-11H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol?
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 351.90 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 163351860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).