4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide

C19H31N5O2S — CID 1397053

IUPAC4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C19H31N5O2S/c1-14(2)13-17-21-22-19(27-17)20-16(25)7-8-18(26)24-11-9-23(10-12-24)15-5-3-4-6-15/h14-15H,3-13H2,1-2H3,(H,20,22,25)
InChIKeyAOAWFPMPAYJLKQ-UHFFFAOYSA-N
MW393.56 g/mol
LogP2.54
Rot. Bonds7

About 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide

4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide (PubChem CID 1397053) has the molecular formula C19H31N5O2S and a molecular weight of 393.56 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
PubChem CID1397053
Molecular FormulaC19H31N5O2S
Molecular Weight393.56 g/mol
Exact Mass393.22
IUPAC Name4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C19H31N5O2S/c1-14(2)13-17-21-22-19(27-17)20-16(25)7-8-18(26)24-11-9-23(10-12-24)15-5-3-4-6-15/h14-15H,3-13H2,1-2H3,(H,20,22,25)
InChIKeyAOAWFPMPAYJLKQ-UHFFFAOYSA-N
XLogP2.54
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide 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

N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 939105
N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 941794
N-cyclopropyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 943323
4-oxo-4-(piperidin-1-yl)-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 945634
1-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2985033
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 664087
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 656355
N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 944624
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-4-(4-methylpiperidin-1-YL)-4-oxobutanamide
CID 663862
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
CID 1397851
N-Cyclooctyl-N'-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1602787
N-cyclooctyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1624671

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide (CID 1397053) is 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide is CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCC3)CC2)s1.
What is the InChIKey of 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The InChIKey is AOAWFPMPAYJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2S/c1-14(2)13-17-21-22-19(27-17)20-16(25)7-8-18(26)24-11-9-23(10-12-24)15-5-3-4-6-15/h14-15H,3-13H2,1-2H3,(H,20,22,25).
What are the key properties of 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide has a molecular weight of 393.56 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 1397053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).