N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide

C17H21FN4OS — CID 71938132

IUPACN-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ncc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H21FN4OS/c1-13-19-10-16(24-13)11-21-6-8-22(9-7-21)12-17(23)20-15-4-2-14(18)3-5-15/h2-5,10H,6-9,11-12H2,1H3,(H,20,23)
InChIKeyJNBQKIXAUUQCKH-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.35
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 71938132) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID71938132
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC NameN-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ncc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H21FN4OS/c1-13-19-10-16(24-13)11-21-6-8-22(9-7-21)12-17(23)20-15-4-2-14(18)3-5-15/h2-5,10H,6-9,11-12H2,1H3,(H,20,23)
InChIKeyJNBQKIXAUUQCKH-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 71938132) is N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide is Cc1ncc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JNBQKIXAUUQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-13-19-10-16(24-13)11-21-6-8-22(9-7-21)12-17(23)20-15-4-2-14(18)3-5-15/h2-5,10H,6-9,11-12H2,1H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71938132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).