3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide

C19H17F2N5O2S — CID 134430396

IUPAC3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
SMILESO=C(NC1CN(c2ccc(F)cn2)C1)N1CC(Oc2cc(F)cc3scnc23)C1
InChIInChI=1S/C19H17F2N5O2S/c20-11-1-2-17(22-5-11)25-6-13(7-25)24-19(27)26-8-14(9-26)28-15-3-12(21)4-16-18(15)23-10-29-16/h1-5,10,13-14H,6-9H2,(H,24,27)
InChIKeyHEGBXROZTLMDLF-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.63
Rot. Bonds4

About 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide

3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide (PubChem CID 134430396) has the molecular formula C19H17F2N5O2S and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
PubChem CID134430396
Molecular FormulaC19H17F2N5O2S
Molecular Weight417.44 g/mol
Exact Mass417.11
IUPAC Name3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
SMILESO=C(NC1CN(c2ccc(F)cn2)C1)N1CC(Oc2cc(F)cc3scnc23)C1
InChIInChI=1S/C19H17F2N5O2S/c20-11-1-2-17(22-5-11)25-6-13(7-25)24-19(27)26-8-14(9-26)28-15-3-12(21)4-16-18(15)23-10-29-16/h1-5,10,13-14H,6-9H2,(H,24,27)
InChIKeyHEGBXROZTLMDLF-UHFFFAOYSA-N
XLogP2.63
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide?
The IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide (CID 134430396) is 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide is O=C(NC1CN(c2ccc(F)cn2)C1)N1CC(Oc2cc(F)cc3scnc23)C1.
What is the InChIKey of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide?
The InChIKey is HEGBXROZTLMDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2S/c20-11-1-2-17(22-5-11)25-6-13(7-25)24-19(27)26-8-14(9-26)28-15-3-12(21)4-16-18(15)23-10-29-16/h1-5,10,13-14H,6-9H2,(H,24,27).
What are the key properties of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide?
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 134430396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).