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

C18H22FN5O2S — CID 163368401

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H22FN5O2S/c1-13(25)21-18-20-10-16(27-18)11-23-6-8-24(9-7-23)12-17(26)22-15-4-2-14(19)3-5-15/h2-5,10H,6-9,11-12H2,1H3,(H,22,26)(H,20,21,25)
InChIKeyZITGIPXSLLIGBE-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.00
Rot. Bonds6

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

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 163368401) has the molecular formula C18H22FN5O2S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID163368401
Molecular FormulaC18H22FN5O2S
Molecular Weight391.47 g/mol
Exact Mass391.15
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H22FN5O2S/c1-13(25)21-18-20-10-16(27-18)11-23-6-8-24(9-7-23)12-17(26)22-15-4-2-14(19)3-5-15/h2-5,10H,6-9,11-12H2,1H3,(H,22,26)(H,20,21,25)
InChIKeyZITGIPXSLLIGBE-UHFFFAOYSA-N
XLogP2.00
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1H-benzimidazol-2-yl)acetamide
CID 163368413
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 175454236
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
5-[[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 55537093
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
N-[5-[[(3S)-3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491169
N-(4-fluorophenyl)-2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 45281436
2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 110167471
N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 163368401) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is ZITGIPXSLLIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2S/c1-13(25)21-18-20-10-16(27-18)11-23-6-8-24(9-7-23)12-17(26)22-15-4-2-14(19)3-5-15/h2-5,10H,6-9,11-12H2,1H3,(H,22,26)(H,20,21,25).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 163368401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).