N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide

C18H16FN3OS — CID 43987334

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C18H16FN3OS/c19-14-8-4-9-15-16(14)21-18(24-15)22(17(23)12-5-3-6-12)11-13-7-1-2-10-20-13/h1-2,4,7-10,12H,3,5-6,11H2
InChIKeyUJRULEOCFRGURN-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.16
Rot. Bonds4

About N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide (PubChem CID 43987334) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
PubChem CID43987334
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C18H16FN3OS/c19-14-8-4-9-15-16(14)21-18(24-15)22(17(23)12-5-3-6-12)11-13-7-1-2-10-20-13/h1-2,4,7-10,12H,3,5-6,11H2
InChIKeyUJRULEOCFRGURN-UHFFFAOYSA-N
XLogP4.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclopentanecarboxamide
CID 43986411
3,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987335
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)naphthalene-2-carboxamide
CID 40699731
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazole-2-carboxamide
CID 41055560
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18576575
2,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986390
5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 18582036
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 41004689
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 18582243
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519204
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055601
N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 16862544

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide (CID 43987334) is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide is O=C(C1CCC1)N(Cc1ccccn1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide?
The InChIKey is UJRULEOCFRGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-14-8-4-9-15-16(14)21-18(24-15)22(17(23)12-5-3-6-12)11-13-7-1-2-10-20-13/h1-2,4,7-10,12H,3,5-6,11H2.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 43987334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).