2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide

C20H27FN4OS — CID 30486246

IUPAC2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(C)(C)c1csc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)n1
InChIInChI=1S/C20H27FN4OS/c1-20(2,3)17-14-27-19(23-17)13-25-10-8-24(9-11-25)12-18(26)22-16-7-5-4-6-15(16)21/h4-7,14H,8-13H2,1-3H3,(H,22,26)
InChIKeyLOQJRWDDOUDMKY-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.34
Rot. Bonds5

About 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 30486246) has the molecular formula C20H27FN4OS and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID30486246
Molecular FormulaC20H27FN4OS
Molecular Weight390.53 g/mol
Exact Mass390.19
IUPAC Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(C)(C)c1csc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)n1
InChIInChI=1S/C20H27FN4OS/c1-20(2,3)17-14-27-19(23-17)13-25-10-8-24(9-11-25)12-18(26)22-16-7-5-4-6-15(16)21/h4-7,14H,8-13H2,1-3H3,(H,22,26)
InChIKeyLOQJRWDDOUDMKY-UHFFFAOYSA-N
XLogP3.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 30486246) is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide is CC(C)(C)c1csc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is LOQJRWDDOUDMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4OS/c1-20(2,3)17-14-27-19(23-17)13-25-10-8-24(9-11-25)12-18(26)22-16-7-5-4-6-15(16)21/h4-7,14H,8-13H2,1-3H3,(H,22,26).
What are the key properties of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 30486246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).