6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole

C17H13FN4OS — CID 141333899

IUPAC6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole
SMILESFCCn1cc(-c2cc(Oc3ccc4ncsc4c3)ccn2)cn1
InChIInChI=1S/C17H13FN4OS/c18-4-6-22-10-12(9-21-22)16-7-14(3-5-19-16)23-13-1-2-15-17(8-13)24-11-20-15/h1-3,5,7-11H,4,6H2
InChIKeyNNORSFQRHNXDOU-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.32
Rot. Bonds5

About 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole

6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole (PubChem CID 141333899) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole
PubChem CID141333899
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole
SMILESFCCn1cc(-c2cc(Oc3ccc4ncsc4c3)ccn2)cn1
InChIInChI=1S/C17H13FN4OS/c18-4-6-22-10-12(9-21-22)16-7-14(3-5-19-16)23-13-1-2-15-17(8-13)24-11-20-15/h1-3,5,7-11H,4,6H2
InChIKeyNNORSFQRHNXDOU-UHFFFAOYSA-N
XLogP4.32
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole?
The IUPAC name of 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole (CID 141333899) is 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole.
What is the SMILES notation for 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole?
The canonical SMILES for 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole is FCCn1cc(-c2cc(Oc3ccc4ncsc4c3)ccn2)cn1.
What is the InChIKey of 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole?
The InChIKey is NNORSFQRHNXDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c18-4-6-22-10-12(9-21-22)16-7-14(3-5-19-16)23-13-1-2-15-17(8-13)24-11-20-15/h1-3,5,7-11H,4,6H2.
What are the key properties of 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole?
6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole has a molecular weight of 340.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazole is sourced from PubChem (CID 141333899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).