N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide

C19H24FN5O2S — CID 1389055

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H24FN5O2S/c1-2-17-22-23-19(28-17)21-16(26)7-8-18(27)25-11-9-24(10-12-25)13-14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3,(H,21,23,26)
InChIKeyCJSYHIMTXINEOI-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.30
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide (PubChem CID 1389055) has the molecular formula C19H24FN5O2S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide
PubChem CID1389055
Molecular FormulaC19H24FN5O2S
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H24FN5O2S/c1-2-17-22-23-19(28-17)21-16(26)7-8-18(27)25-11-9-24(10-12-25)13-14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3,(H,21,23,26)
InChIKeyCJSYHIMTXINEOI-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-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

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide (CID 1389055) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide is CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The InChIKey is CJSYHIMTXINEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2S/c1-2-17-22-23-19(28-17)21-16(26)7-8-18(27)25-11-9-24(10-12-25)13-14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3,(H,21,23,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide has a molecular weight of 405.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 1389055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).