2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide

C20H27N5OS — CID 58430836

IUPAC2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide
SMILESO=C(Cc1nnc(N2CCN(Cc3ccccc3)CC2)s1)NC1CCCC1
InChIInChI=1S/C20H27N5OS/c26-18(21-17-8-4-5-9-17)14-19-22-23-20(27-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,21,26)
InChIKeyLSDSWBLDOPDLAZ-UHFFFAOYSA-N
MW385.54 g/mol
LogP2.46
Rot. Bonds6

About 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide

2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide (PubChem CID 58430836) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide
PubChem CID58430836
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide
SMILESO=C(Cc1nnc(N2CCN(Cc3ccccc3)CC2)s1)NC1CCCC1
InChIInChI=1S/C20H27N5OS/c26-18(21-17-8-4-5-9-17)14-19-22-23-20(27-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,21,26)
InChIKeyLSDSWBLDOPDLAZ-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-benzylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365872
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
methyl 2-(4-benzylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 69197930
N-(1-benzylpiperidin-4-yl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084551
2-(4-benzyl-1,4-diazepan-1-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133466273
1-cyclopentyl-3-[5-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430706
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
1-cyclopentyl-3-[5-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430653
methyl 4-[[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methyl]benzoate
CID 176899158
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide (CID 58430836) is 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide is O=C(Cc1nnc(N2CCN(Cc3ccccc3)CC2)s1)NC1CCCC1.
What is the InChIKey of 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide?
The InChIKey is LSDSWBLDOPDLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c26-18(21-17-8-4-5-9-17)14-19-22-23-20(27-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,21,26).
What are the key properties of 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide?
2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide has a molecular weight of 385.54 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 58430836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).