N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

C20H27N5OS — CID 6471023

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C20H27N5OS/c26-18(21-20-23-22-19(27-20)16-7-3-1-4-8-16)15-24-11-13-25(14-12-24)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,21,23,26)
InChIKeyFRMKHGVMMRJVJR-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.35
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 6471023) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID6471023
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C20H27N5OS/c26-18(21-20-23-22-19(27-20)16-7-3-1-4-8-16)15-24-11-13-25(14-12-24)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,21,23,26)
InChIKeyFRMKHGVMMRJVJR-UHFFFAOYSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide 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 N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 6471023) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is FRMKHGVMMRJVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c26-18(21-20-23-22-19(27-20)16-7-3-1-4-8-16)15-24-11-13-25(14-12-24)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,21,23,26).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 385.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6471023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).