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

C18H21FN4O5S — CID 71780540

IUPAC2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
SMILESNC(=O)CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H19FN4OS.C2H2O4/c17-13-3-1-12(2-4-13)14-11-23-16(19-14)10-21-7-5-20(6-8-21)9-15(18)22;3-1(4)2(5)6/h1-4,11H,5-10H2,(H2,18,22);(H,3,4)(H,5,6)
InChIKeySCTHFZDXMBNAAJ-UHFFFAOYSA-N
MW424.45 g/mol
LogP0.71
Rot. Bonds5

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

2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid (PubChem CID 71780540) has the molecular formula C18H21FN4O5S and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
PubChem CID71780540
Molecular FormulaC18H21FN4O5S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
SMILESNC(=O)CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H19FN4OS.C2H2O4/c17-13-3-1-12(2-4-13)14-11-23-16(19-14)10-21-7-5-20(6-8-21)9-15(18)22;3-1(4)2(5)6/h1-4,11H,5-10H2,(H2,18,22);(H,3,4)(H,5,6)
InChIKeySCTHFZDXMBNAAJ-UHFFFAOYSA-N
XLogP0.71
TPSA137.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
(2,4-difluorophenyl)-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780196
N-(1,3-benzothiazol-2-yl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486093
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]acetamide
CID 71921232
4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 30485988
4-(4-fluorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 135092286
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 30464037
N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780538
1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137345365
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
N-(5-chloro-2-methoxyphenyl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486227

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid?
The IUPAC name of 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid (CID 71780540) is 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid.
What is the SMILES notation for 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid?
The canonical SMILES for 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid is NC(=O)CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid?
The InChIKey is SCTHFZDXMBNAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS.C2H2O4/c17-13-3-1-12(2-4-13)14-11-23-16(19-14)10-21-7-5-20(6-8-21)9-15(18)22;3-1(4)2(5)6/h1-4,11H,5-10H2,(H2,18,22);(H,3,4)(H,5,6).
What are the key properties of 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid?
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid has a molecular weight of 424.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid is sourced from PubChem (CID 71780540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).