N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide

C20H13FN2OS — CID 130247433

IUPACN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide
SMILESO=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)c1ccccc1
InChIInChI=1S/C20H13FN2OS/c21-15-8-4-7-14(11-15)20-23-17-12-16(9-10-18(17)25-20)22-19(24)13-5-2-1-3-6-13/h1-12H,(H,22,24)
InChIKeyMPKYPKVBWMPFRF-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.35
Rot. Bonds3

About N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide

N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide (PubChem CID 130247433) has the molecular formula C20H13FN2OS and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide
PubChem CID130247433
Molecular FormulaC20H13FN2OS
Molecular Weight348.40 g/mol
Exact Mass348.07
IUPAC NameN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide
SMILESO=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)c1ccccc1
InChIInChI=1S/C20H13FN2OS/c21-15-8-4-7-14(11-15)20-23-17-12-16(9-10-18(17)25-20)22-19(24)13-5-2-1-3-6-13/h1-12H,(H,22,24)
InChIKeyMPKYPKVBWMPFRF-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide?
The IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide (CID 130247433) is N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide is O=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)c1ccccc1.
What is the InChIKey of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide?
The InChIKey is MPKYPKVBWMPFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2OS/c21-15-8-4-7-14(11-15)20-23-17-12-16(9-10-18(17)25-20)22-19(24)13-5-2-1-3-6-13/h1-12H,(H,22,24).
What are the key properties of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide?
N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide is sourced from PubChem (CID 130247433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).