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

C18H22FN5O2S — CID 1402444

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H22FN5O2S/c1-2-16-21-22-18(27-16)20-15(25)7-8-17(26)24-11-9-23(10-12-24)14-5-3-13(19)4-6-14/h3-6H,2,7-12H2,1H3,(H,20,22,25)
InChIKeyNZVLLTYMYAWDRP-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.31
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 1402444) has the molecular formula C18H22FN5O2S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID1402444
Molecular FormulaC18H22FN5O2S
Molecular Weight391.47 g/mol
Exact Mass391.15
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H22FN5O2S/c1-2-16-21-22-18(27-16)20-15(25)7-8-17(26)24-11-9-23(10-12-24)14-5-3-13(19)4-6-14/h3-6H,2,7-12H2,1H3,(H,20,22,25)
InChIKeyNZVLLTYMYAWDRP-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 1400831
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanamide
CID 3889750
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 940949
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 1396983
ethyl 2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 35271468
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
CID 35271464
N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
CID 100769985
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 45495492
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
4-(4-fluorophenyl)-N-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 53368702
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide (CID 1402444) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide is CCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is NZVLLTYMYAWDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2S/c1-2-16-21-22-18(27-16)20-15(25)7-8-17(26)24-11-9-23(10-12-24)14-5-3-13(19)4-6-14/h3-6H,2,7-12H2,1H3,(H,20,22,25).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 391.47 g/mol, XLogP of 2.31, 6 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)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 1402444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).