N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C17H12F3N3OS — CID 121128498

IUPACN-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C17H12F3N3OS/c18-10-1-4-14-15(5-10)25-17(22-14)23-7-9(8-23)16(24)21-11-2-3-12(19)13(20)6-11/h1-6,9H,7-8H2,(H,21,24)
InChIKeyJJIXNKJZBVXPQQ-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.79
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128498) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID121128498
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC NameN-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C17H12F3N3OS/c18-10-1-4-14-15(5-10)25-17(22-14)23-7-9(8-23)16(24)21-11-2-3-12(19)13(20)6-11/h1-6,9H,7-8H2,(H,21,24)
InChIKeyJJIXNKJZBVXPQQ-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)piperidine-3-carboxamide
CID 90610246
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
CID 121128463
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 121128467
N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611763
1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90604056
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 121128596
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610219

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128498) is N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is JJIXNKJZBVXPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-10-1-4-14-15(5-10)25-17(22-14)23-7-9(8-23)16(24)21-11-2-3-12(19)13(20)6-11/h1-6,9H,7-8H2,(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).