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

C18H16FN3OS — CID 130270096

IUPACN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)N1CCCC1
InChIInChI=1S/C18H16FN3OS/c19-13-5-3-4-12(10-13)17-21-15-11-14(6-7-16(15)24-17)20-18(23)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9H2,(H,20,23)
InChIKeyHTHHRDGHLCTHEU-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.73
Rot. Bonds2

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

N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 130270096) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID130270096
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)N1CCCC1
InChIInChI=1S/C18H16FN3OS/c19-13-5-3-4-12(10-13)17-21-15-11-14(6-7-16(15)24-17)20-18(23)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9H2,(H,20,23)
InChIKeyHTHHRDGHLCTHEU-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
CID 130248858
N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
CID 130247403
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
3-amino-N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130247750
2,2-bis[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperazine-1,4-dicarboxamide
CID 130248002
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
2-(3-fluorophenyl)-1,3-benzothiazole-6-carbonyl chloride
CID 95930246
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]morpholine-4-carboxamide
CID 3261830
N-quinoxalin-6-ylpiperidine-1-carboxamide
CID 798080
N-(3-fluorophenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 24737289
N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide
CID 142694789

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide (CID 130270096) is N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)N1CCCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is HTHHRDGHLCTHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-13-5-3-4-12(10-13)17-21-15-11-14(6-7-16(15)24-17)20-18(23)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9H2,(H,20,23).
What are the key properties of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide?
N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.73, 2 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]pyrrolidine-1-carboxamide is sourced from PubChem (CID 130270096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).