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

C15H15ClF3N5OS — CID 1477407

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C15H15ClF3N5OS/c16-10-2-1-3-11(8-10)24-6-4-23(5-7-24)9-12(25)20-14-22-21-13(26-14)15(17,18)19/h1-3,8H,4-7,9H2,(H,20,22,25)
InChIKeyLAXLJUCGMNYHNK-UHFFFAOYSA-N
MW405.83 g/mol
LogP2.97
Rot. Bonds4

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1477407) has the molecular formula C15H15ClF3N5OS and a molecular weight of 405.83 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1477407
Molecular FormulaC15H15ClF3N5OS
Molecular Weight405.83 g/mol
Exact Mass405.06
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C15H15ClF3N5OS/c16-10-2-1-3-11(8-10)24-6-4-23(5-7-24)9-12(25)20-14-22-21-13(26-14)15(17,18)19/h1-3,8H,4-7,9H2,(H,20,22,25)
InChIKeyLAXLJUCGMNYHNK-UHFFFAOYSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1477407) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LAXLJUCGMNYHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5OS/c16-10-2-1-3-11(8-10)24-6-4-23(5-7-24)9-12(25)20-14-22-21-13(26-14)15(17,18)19/h1-3,8H,4-7,9H2,(H,20,22,25).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 405.83 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1477407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).