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

C15H15F4N5OS — CID 1477404

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C15H15F4N5OS/c16-10-3-1-2-4-11(10)24-7-5-23(6-8-24)9-12(25)20-14-22-21-13(26-14)15(17,18)19/h1-4H,5-9H2,(H,20,22,25)
InChIKeyYBGRSPGPRSVGFH-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.46
Rot. Bonds4

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1477404) has the molecular formula C15H15F4N5OS and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1477404
Molecular FormulaC15H15F4N5OS
Molecular Weight389.38 g/mol
Exact Mass389.09
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C15H15F4N5OS/c16-10-3-1-2-4-11(10)24-7-5-23(6-8-24)9-12(25)20-14-22-21-13(26-14)15(17,18)19/h1-4H,5-9H2,(H,20,22,25)
InChIKeyYBGRSPGPRSVGFH-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 653858
2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1361150
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 1399251
4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1402070
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 1398330
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 1400156
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 16192633
4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 1392667
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1477407
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 6466361
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 6471023
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 1439410

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1477404) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CN1CCN(c2ccccc2F)CC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YBGRSPGPRSVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N5OS/c16-10-3-1-2-4-11(10)24-7-5-23(6-8-24)9-12(25)20-14-22-21-13(26-14)15(17,18)19/h1-4H,5-9H2,(H,20,22,25).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1477404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).