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

C17H21FN4OS — CID 75369820

IUPACN-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCC1CN(CC(=O)NCc2ccc(F)cc2)CCN1c1nccs1
InChIInChI=1S/C17H21FN4OS/c1-13-11-21(7-8-22(13)17-19-6-9-24-17)12-16(23)20-10-14-2-4-15(18)5-3-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,23)
InChIKeySIHVYUMIXPJIJV-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.11
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 75369820) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID75369820
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCC1CN(CC(=O)NCc2ccc(F)cc2)CCN1c1nccs1
InChIInChI=1S/C17H21FN4OS/c1-13-11-21(7-8-22(13)17-19-6-9-24-17)12-16(23)20-10-14-2-4-15(18)5-3-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,23)
InChIKeySIHVYUMIXPJIJV-UHFFFAOYSA-N
XLogP2.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 75369820) is N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is CC1CN(CC(=O)NCc2ccc(F)cc2)CCN1c1nccs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is SIHVYUMIXPJIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-13-11-21(7-8-22(13)17-19-6-9-24-17)12-16(23)20-10-14-2-4-15(18)5-3-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75369820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).