N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide

C20H24FN3OS — CID 156743724

IUPACN-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide
SMILESCCCN1c2ccc3cc(F)ccc3c2SC1NC(=O)C1CCN(C)C1
InChIInChI=1S/C20H24FN3OS/c1-3-9-24-17-7-4-13-11-15(21)5-6-16(13)18(17)26-20(24)22-19(25)14-8-10-23(2)12-14/h4-7,11,14,20H,3,8-10,12H2,1-2H3,(H,22,25)
InChIKeyNRDHNUWOWSFPEH-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.65
Rot. Bonds4

About N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide

N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 156743724) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide
PubChem CID156743724
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide
SMILESCCCN1c2ccc3cc(F)ccc3c2SC1NC(=O)C1CCN(C)C1
InChIInChI=1S/C20H24FN3OS/c1-3-9-24-17-7-4-13-11-15(21)5-6-16(13)18(17)26-20(24)22-19(25)14-8-10-23(2)12-14/h4-7,11,14,20H,3,8-10,12H2,1-2H3,(H,22,25)
InChIKeyNRDHNUWOWSFPEH-UHFFFAOYSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

pentakis(N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide);N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 167619594
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
3-fluoro-4-[(1-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63189730
cis-(1S,3R)-3-ethyl-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)cyclopentane-1-carboxamide
CID 167636236
1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94503931
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 53289357
(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 92633582
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
CID 79741197
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide (CID 156743724) is N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide is CCCN1c2ccc3cc(F)ccc3c2SC1NC(=O)C1CCN(C)C1.
What is the InChIKey of N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is NRDHNUWOWSFPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-3-9-24-17-7-4-13-11-15(21)5-6-16(13)18(17)26-20(24)22-19(25)14-8-10-23(2)12-14/h4-7,11,14,20H,3,8-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide?
N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-3-propyl-2H-benzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156743724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).