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

C16H18F3N5OS — CID 23724150

IUPAC2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C16H18F3N5OS/c17-16(18,19)14-21-22-15(26-14)20-13(25)11-24-8-6-23(7-9-24)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,20,22,25)
InChIKeyMFNXVDNUPCMZCQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.31
Rot. Bonds5

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

2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 23724150) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID23724150
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C16H18F3N5OS/c17-16(18,19)14-21-22-15(26-14)20-13(25)11-24-8-6-23(7-9-24)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,20,22,25)
InChIKeyMFNXVDNUPCMZCQ-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 23724150) is 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MFNXVDNUPCMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c17-16(18,19)14-21-22-15(26-14)20-13(25)11-24-8-6-23(7-9-24)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,20,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 23724150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).