N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

C23H27N4OS+ — CID 7349449

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCCc1sc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C23H26N4OS/c1-2-20-22(18-9-5-3-6-10-18)25-23(29-20)24-21(28)17-26-13-15-27(16-14-26)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H,24,25,28)/p+1
InChIKeyXABBEHZPTQMAAG-UHFFFAOYSA-O
MW407.56 g/mol
LogP2.72
Rot. Bonds6

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (PubChem CID 7349449) has the molecular formula C23H27N4OS+ and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
PubChem CID7349449
Molecular FormulaC23H27N4OS+
Molecular Weight407.56 g/mol
Exact Mass407.19
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCCc1sc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C23H26N4OS/c1-2-20-22(18-9-5-3-6-10-18)25-23(29-20)24-21(28)17-26-13-15-27(16-14-26)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H,24,25,28)/p+1
InChIKeyXABBEHZPTQMAAG-UHFFFAOYSA-O
XLogP2.72
TPSA49.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7339731
N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6985943
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7390121
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
(1R,2S,3R,4R)-3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98300704
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
CID 108726888
N-(1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide
CID 7399269
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
CID 67425132
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
(2S,4R)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 88530807
2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 59634279
N-(3-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688681

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (CID 7349449) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is CCc1sc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)nc1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is XABBEHZPTQMAAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N4OS/c1-2-20-22(18-9-5-3-6-10-18)25-23(29-20)24-21(28)17-26-13-15-27(16-14-26)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H,24,25,28)/p+1.
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 7349449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).