N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

C15H16FN3OS — CID 166602759

IUPACN-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C15H16FN3OS/c16-10-1-4-12-13(7-10)21-15(18-12)19-6-5-9(8-19)14(20)17-11-2-3-11/h1,4,7,9,11H,2-3,5-6,8H2,(H,17,20)
InChIKeyNZJOZKKHTZHOAI-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.54
Rot. Bonds3

About N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 166602759) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID166602759
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C15H16FN3OS/c16-10-1-4-12-13(7-10)21-15(18-12)19-6-5-9(8-19)14(20)17-11-2-3-11/h1,4,7,9,11H,2-3,5-6,8H2,(H,17,20)
InChIKeyNZJOZKKHTZHOAI-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide
CID 155981171
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610246
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
methyl 1-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90610143
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610219
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
N-(6-chloro-3-pyridinyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609907
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 90609784
methyl 4-[[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609797
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90610267

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide (CID 166602759) is N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide is O=C(NC1CC1)C1CCN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is NZJOZKKHTZHOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-10-1-4-12-13(7-10)21-15(18-12)19-6-5-9(8-19)14(20)17-11-2-3-11/h1,4,7,9,11H,2-3,5-6,8H2,(H,17,20).
What are the key properties of N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?
N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166602759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).