1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide

C19H15F4N3O2S — CID 121128604

IUPAC1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C19H15F4N3O2S/c20-13-5-6-14-16(7-13)29-18(25-14)26-9-12(10-26)17(27)24-8-11-3-1-2-4-15(11)28-19(21,22)23/h1-7,12H,8-10H2,(H,24,27)
InChIKeyIXAWXDPKQHTMNZ-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.09
Rot. Bonds5

About 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide (PubChem CID 121128604) has the molecular formula C19H15F4N3O2S and a molecular weight of 425.41 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
PubChem CID121128604
Molecular FormulaC19H15F4N3O2S
Molecular Weight425.41 g/mol
Exact Mass425.08
IUPAC Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C19H15F4N3O2S/c20-13-5-6-14-16(7-13)29-18(25-14)26-9-12(10-26)17(27)24-8-11-3-1-2-4-15(11)28-19(21,22)23/h1-7,12H,8-10H2,(H,24,27)
InChIKeyIXAWXDPKQHTMNZ-UHFFFAOYSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 121128341
N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128419
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90611413
N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604200
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide
CID 121128436
N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20886703
N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800303
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
1-(6-chloro-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4609437
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-methoxyphenyl)azetidine-3-carboxamide
CID 121128467
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
CID 121128463

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide (CID 121128604) is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)C1CN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is IXAWXDPKQHTMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2S/c20-13-5-6-14-16(7-13)29-18(25-14)26-9-12(10-26)17(27)24-8-11-3-1-2-4-15(11)28-19(21,22)23/h1-7,12H,8-10H2,(H,24,27).
What are the key properties of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide?
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 121128604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).