3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

C17H19F3N4OS — CID 88876080

IUPAC3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)cc(N2CCNCC2)c1
InChIInChI=1S/C17H19F3N4OS/c1-2-11-7-12(9-13(8-11)24-5-3-21-4-6-24)15(25)23-16-22-14(10-26-16)17(18,19)20/h7-10,21H,2-6H2,1H3,(H,22,23,25)
InChIKeyOQKKGQHZCKSWKT-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.39
Rot. Bonds4

About 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 88876080) has the molecular formula C17H19F3N4OS and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID88876080
Molecular FormulaC17H19F3N4OS
Molecular Weight384.43 g/mol
Exact Mass384.12
IUPAC Name3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)cc(N2CCNCC2)c1
InChIInChI=1S/C17H19F3N4OS/c1-2-11-7-12(9-13(8-11)24-5-3-21-4-6-24)15(25)23-16-22-14(10-26-16)17(18,19)20/h7-10,21H,2-6H2,1H3,(H,22,23,25)
InChIKeyOQKKGQHZCKSWKT-UHFFFAOYSA-N
XLogP3.39
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 88876080) is 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is CCc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)cc(N2CCNCC2)c1.
What is the InChIKey of 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OQKKGQHZCKSWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4OS/c1-2-11-7-12(9-13(8-11)24-5-3-21-4-6-24)15(25)23-16-22-14(10-26-16)17(18,19)20/h7-10,21H,2-6H2,1H3,(H,22,23,25).
What are the key properties of 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 384.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 88876080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).