3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide

C19H19FN4OS — CID 30859234

IUPAC3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide
SMILESCN1CCN(c2nc3ccc(NC(=O)c4cccc(F)c4)cc3s2)CC1
InChIInChI=1S/C19H19FN4OS/c1-23-7-9-24(10-8-23)19-22-16-6-5-15(12-17(16)26-19)21-18(25)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3,(H,21,25)
InChIKeyCZQQLTDRXKAZOX-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.44
Rot. Bonds3

About 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide

3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide (PubChem CID 30859234) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide
PubChem CID30859234
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide
SMILESCN1CCN(c2nc3ccc(NC(=O)c4cccc(F)c4)cc3s2)CC1
InChIInChI=1S/C19H19FN4OS/c1-23-7-9-24(10-8-23)19-22-16-6-5-15(12-17(16)26-19)21-18(25)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3,(H,21,25)
InChIKeyCZQQLTDRXKAZOX-UHFFFAOYSA-N
XLogP3.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide (CID 30859234) is 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide is CN1CCN(c2nc3ccc(NC(=O)c4cccc(F)c4)cc3s2)CC1.
What is the InChIKey of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide?
The InChIKey is CZQQLTDRXKAZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-23-7-9-24(10-8-23)19-22-16-6-5-15(12-17(16)26-19)21-18(25)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3,(H,21,25).
What are the key properties of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide?
3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 30859234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).