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

C17H22FN5OS — CID 17378576

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)s1
InChIInChI=1S/C17H22FN5OS/c1-2-16-20-21-17(25-16)19-15(24)12-23-8-6-22(7-9-23)11-13-4-3-5-14(18)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,19,21,24)
InChIKeyKBAYTLSDSDZTFJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.00
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 17378576) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID17378576
Molecular FormulaC17H22FN5OS
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)s1
InChIInChI=1S/C17H22FN5OS/c1-2-16-20-21-17(25-16)19-15(24)12-23-8-6-22(7-9-23)11-13-4-3-5-14(18)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,19,21,24)
InChIKeyKBAYTLSDSDZTFJ-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6468720
N-[5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 946556
N-Benzyl-N'-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1399783
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 653858
4-(4-benzylpiperazin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 663598
N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-fluorobenzyl)piperazin-1-yl]-4-oxobutanamide
CID 1389055
4-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 1392604
4-[4-(4-fluorobenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 4976868
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6465295
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6466674
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6470804
2-(4-benzyl-1-piperazinyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 23724150

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 17378576) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide is CCc1nnc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is KBAYTLSDSDZTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5OS/c1-2-16-20-21-17(25-16)19-15(24)12-23-8-6-22(7-9-23)11-13-4-3-5-14(18)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,19,21,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.00, 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)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17378576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).