2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide

C19H18F2N4O2S — CID 169097574

IUPAC2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide
SMILESCOc1cccc2sc(NC(=O)c3c(F)cc(N4CCNCC4)cc3F)nc12
InChIInChI=1S/C19H18F2N4O2S/c1-27-14-3-2-4-15-17(14)23-19(28-15)24-18(26)16-12(20)9-11(10-13(16)21)25-7-5-22-6-8-25/h2-4,9-10,22H,5-8H2,1H3,(H,23,24,26)
InChIKeyWLNIILLCRUXTGM-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.24
Rot. Bonds4

About 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide

2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide (PubChem CID 169097574) has the molecular formula C19H18F2N4O2S and a molecular weight of 404.44 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide
PubChem CID169097574
Molecular FormulaC19H18F2N4O2S
Molecular Weight404.44 g/mol
Exact Mass404.11
IUPAC Name2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide
SMILESCOc1cccc2sc(NC(=O)c3c(F)cc(N4CCNCC4)cc3F)nc12
InChIInChI=1S/C19H18F2N4O2S/c1-27-14-3-2-4-15-17(14)23-19(28-15)24-18(26)16-12(20)9-11(10-13(16)21)25-7-5-22-6-8-25/h2-4,9-10,22H,5-8H2,1H3,(H,23,24,26)
InChIKeyWLNIILLCRUXTGM-UHFFFAOYSA-N
XLogP3.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide (CID 169097574) is 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide is COc1cccc2sc(NC(=O)c3c(F)cc(N4CCNCC4)cc3F)nc12.
What is the InChIKey of 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide?
The InChIKey is WLNIILLCRUXTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S/c1-27-14-3-2-4-15-17(14)23-19(28-15)24-18(26)16-12(20)9-11(10-13(16)21)25-7-5-22-6-8-25/h2-4,9-10,22H,5-8H2,1H3,(H,23,24,26).
What are the key properties of 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide?
2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide has a molecular weight of 404.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 169097574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).