N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

C18H14FN3O2S — CID 24978707

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H14FN3O2S/c19-12-5-8-14-15(10-12)25-18(20-14)21-17(24)11-3-6-13(7-4-11)22-9-1-2-16(22)23/h3-8,10H,1-2,9H2,(H,20,21,24)
InChIKeyMBPNTCPMXCTDSB-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.81
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 24978707) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID24978707
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H14FN3O2S/c19-12-5-8-14-15(10-12)25-18(20-14)21-17(24)11-3-6-13(7-4-11)22-9-1-2-16(22)23/h3-8,10H,1-2,9H2,(H,20,21,24)
InChIKeyMBPNTCPMXCTDSB-UHFFFAOYSA-N
XLogP3.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 24978707) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MBPNTCPMXCTDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-12-5-8-14-15(10-12)25-18(20-14)21-17(24)11-3-6-13(7-4-11)22-9-1-2-16(22)23/h3-8,10H,1-2,9H2,(H,20,21,24).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 355.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 24978707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).