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

C17H19FN4O2S — CID 37405566

IUPAC2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1nccs1
InChIInChI=1S/C17H19FN4O2S/c18-14-3-1-13(2-4-14)11-16(24)22-8-6-21(7-9-22)12-15(23)20-17-19-5-10-25-17/h1-5,10H,6-9,11-12H2,(H,19,20,23)
InChIKeyYAZSBMQNVLQWOC-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.61
Rot. Bonds5

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

2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 37405566) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID37405566
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1nccs1
InChIInChI=1S/C17H19FN4O2S/c18-14-3-1-13(2-4-14)11-16(24)22-8-6-21(7-9-22)12-15(23)20-17-19-5-10-25-17/h1-5,10H,6-9,11-12H2,(H,19,20,23)
InChIKeyYAZSBMQNVLQWOC-UHFFFAOYSA-N
XLogP1.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
2-(3-Cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydro-pyridin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 567755
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-heptan-4-yl-1,3-thiazol-2-yl)pentanamide
CID 44435487
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3824898
2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 4799453

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 37405566) is 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YAZSBMQNVLQWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c18-14-3-1-13(2-4-14)11-16(24)22-8-6-21(7-9-22)12-15(23)20-17-19-5-10-25-17/h1-5,10H,6-9,11-12H2,(H,19,20,23).
What are the key properties of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 37405566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).