2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C20H22FN5O3S — CID 86941119

IUPAC2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C20H22FN5O3S/c1-12-15(13(2)29-24-12)10-19(28)26-7-5-25(6-8-26)11-18(27)23-20-22-16-4-3-14(21)9-17(16)30-20/h3-4,9H,5-8,10-11H2,1-2H3,(H,22,23,27)
InChIKeySPIXQNWFIMAYHE-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 86941119) has the molecular formula C20H22FN5O3S and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID86941119
Molecular FormulaC20H22FN5O3S
Molecular Weight431.49 g/mol
Exact Mass431.14
IUPAC Name2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C20H22FN5O3S/c1-12-15(13(2)29-24-12)10-19(28)26-7-5-25(6-8-26)11-18(27)23-20-22-16-4-3-14(21)9-17(16)30-20/h3-4,9H,5-8,10-11H2,1-2H3,(H,22,23,27)
InChIKeySPIXQNWFIMAYHE-UHFFFAOYSA-N
XLogP2.37
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9118132
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
CID 71913543
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108806521
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 86879469
2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 112802141
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 86879454
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 165430372
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 6472660
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 46981272
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114163

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 86941119) is 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is Cc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SPIXQNWFIMAYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3S/c1-12-15(13(2)29-24-12)10-19(28)26-7-5-25(6-8-26)11-18(27)23-20-22-16-4-3-14(21)9-17(16)30-20/h3-4,9H,5-8,10-11H2,1-2H3,(H,22,23,27).
What are the key properties of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 431.49 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 86941119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).