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

C20H21FN4O2S — CID 169097570

IUPAC2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide
SMILESCOc1cccc2sc(NC(=O)c3c(C)cc(N4CCNCC4)cc3F)nc12
InChIInChI=1S/C20H21FN4O2S/c1-12-10-13(25-8-6-22-7-9-25)11-14(21)17(12)19(26)24-20-23-18-15(27-2)4-3-5-16(18)28-20/h3-5,10-11,22H,6-9H2,1-2H3,(H,23,24,26)
InChIKeyQWARDHHRCXKRRW-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.41
Rot. Bonds4

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

2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide (PubChem CID 169097570) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide
PubChem CID169097570
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide
SMILESCOc1cccc2sc(NC(=O)c3c(C)cc(N4CCNCC4)cc3F)nc12
InChIInChI=1S/C20H21FN4O2S/c1-12-10-13(25-8-6-22-7-9-25)11-14(21)17(12)19(26)24-20-23-18-15(27-2)4-3-5-16(18)28-20/h3-5,10-11,22H,6-9H2,1-2H3,(H,23,24,26)
InChIKeyQWARDHHRCXKRRW-UHFFFAOYSA-N
XLogP3.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide?
The IUPAC name of 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide (CID 169097570) is 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide is COc1cccc2sc(NC(=O)c3c(C)cc(N4CCNCC4)cc3F)nc12.
What is the InChIKey of 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide?
The InChIKey is QWARDHHRCXKRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-12-10-13(25-8-6-22-7-9-25)11-14(21)17(12)19(26)24-20-23-18-15(27-2)4-3-5-16(18)28-20/h3-5,10-11,22H,6-9H2,1-2H3,(H,23,24,26).
What are the key properties of 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide?
2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-6-methyl-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 169097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).