4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide

C23H25N5O2S — CID 30485988

IUPAC4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C23H25N5O2S/c24-23(30)18-6-8-19(9-7-18)25-21(29)14-27-10-12-28(13-11-27)15-22-26-20(16-31-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H2,24,30)(H,25,29)
InChIKeyOOMXWSQYQFHHKY-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.67
Rot. Bonds7

About 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide

4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 30485988) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
PubChem CID30485988
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C23H25N5O2S/c24-23(30)18-6-8-19(9-7-18)25-21(29)14-27-10-12-28(13-11-27)15-22-26-20(16-31-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H2,24,30)(H,25,29)
InChIKeyOOMXWSQYQFHHKY-UHFFFAOYSA-N
XLogP2.67
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780538
2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 30485889
methyl 4-[[2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetyl]amino]benzoate;oxalic acid
CID 71780572
N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780537
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 30485980
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540
N-(1,3-benzothiazol-2-yl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486093
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780580
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide (CID 30485988) is 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)cs3)CC2)cc1.
What is the InChIKey of 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is OOMXWSQYQFHHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c24-23(30)18-6-8-19(9-7-18)25-21(29)14-27-10-12-28(13-11-27)15-22-26-20(16-31-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H2,24,30)(H,25,29).
What are the key properties of 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 435.55 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 30485988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).