N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide

C21H22F2N4O2S — CID 18575568

IUPACN-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCN1CCN(c2nc3c(F)cc(F)cc3s2)CC1
InChIInChI=1S/C21H22F2N4O2S/c22-15-12-17(23)20-18(13-15)30-21(25-20)27-10-8-26(9-11-27)7-6-24-19(28)14-29-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14H2,(H,24,28)
InChIKeyBKDJGOPPEVXUSV-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.89
Rot. Bonds7

About N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide

N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide (PubChem CID 18575568) has the molecular formula C21H22F2N4O2S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide
PubChem CID18575568
Molecular FormulaC21H22F2N4O2S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC NameN-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCN1CCN(c2nc3c(F)cc(F)cc3s2)CC1
InChIInChI=1S/C21H22F2N4O2S/c22-15-12-17(23)20-18(13-15)30-21(25-20)27-10-8-26(9-11-27)7-6-24-19(28)14-29-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14H2,(H,24,28)
InChIKeyBKDJGOPPEVXUSV-UHFFFAOYSA-N
XLogP2.89
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,6-difluorobenzamide
CID 44897097
N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide
CID 44897041
N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide
CID 44896245
2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 121040808
N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 44897023
N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide
CID 44897065
N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 44897735
1-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 43982569
N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 44897011
2-(3-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34999063
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 44896437

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide (CID 18575568) is N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCN1CCN(c2nc3c(F)cc(F)cc3s2)CC1.
What is the InChIKey of N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is BKDJGOPPEVXUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2S/c22-15-12-17(23)20-18(13-15)30-21(25-20)27-10-8-26(9-11-27)7-6-24-19(28)14-29-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14H2,(H,24,28).
What are the key properties of N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide?
N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 432.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 18575568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).