(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide

C16H14FN3OS — CID 167673076

IUPAC(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccc3cc(F)ccc3c2s1)[C@@H]1CCNC1
InChIInChI=1S/C16H14FN3OS/c17-11-2-3-12-9(7-11)1-4-13-14(12)22-16(19-13)20-15(21)10-5-6-18-8-10/h1-4,7,10,18H,5-6,8H2,(H,19,20,21)/t10-/m1/s1
InChIKeyUKJLOORAQGECMU-SNVBAGLBSA-N
MW315.37 g/mol
LogP3.14
Rot. Bonds2

About (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide

(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 167673076) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID167673076
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccc3cc(F)ccc3c2s1)[C@@H]1CCNC1
InChIInChI=1S/C16H14FN3OS/c17-11-2-3-12-9(7-11)1-4-13-14(12)22-16(19-13)20-15(21)10-5-6-18-8-10/h1-4,7,10,18H,5-6,8H2,(H,19,20,21)/t10-/m1/s1
InChIKeyUKJLOORAQGECMU-SNVBAGLBSA-N
XLogP3.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
cis-(1S,3R)-3-ethyl-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)cyclopentane-1-carboxamide
CID 167636236
N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide
CID 164944836
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone
CID 156743741
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 94916867
(2R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-2-(5-oxo-2-sulfanylpyrrolidin-2-yl)propanamide;molecular hydrogen
CID 156743736
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119774699
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
N-(2,2-difluoro-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 119774444
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide (CID 167673076) is (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nc2ccc3cc(F)ccc3c2s1)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is UKJLOORAQGECMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14FN3OS/c17-11-2-3-12-9(7-11)1-4-13-14(12)22-16(19-13)20-15(21)10-5-6-18-8-10/h1-4,7,10,18H,5-6,8H2,(H,19,20,21)/t10-/m1/s1.
What are the key properties of (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide?
(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 167673076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).