2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile

C10H4ClFN2OS — CID 83153340

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc(Cl)cs1
InChIInChI=1S/C10H4ClFN2OS/c11-9-5-16-10(14-9)15-8-3-1-2-7(12)6(8)4-13/h1-3,5H
InChIKeyKCAZPUKFANVFIA-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.60
Rot. Bonds2

About 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile

2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile (PubChem CID 83153340) has the molecular formula C10H4ClFN2OS and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile
PubChem CID83153340
Molecular FormulaC10H4ClFN2OS
Molecular Weight254.67 g/mol
Exact Mass253.97
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc(Cl)cs1
InChIInChI=1S/C10H4ClFN2OS/c11-9-5-16-10(14-9)15-8-3-1-2-7(12)6(8)4-13/h1-3,5H
InChIKeyKCAZPUKFANVFIA-UHFFFAOYSA-N
XLogP3.60
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile (CID 83153340) is 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1nc(Cl)cs1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile?
The InChIKey is KCAZPUKFANVFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClFN2OS/c11-9-5-16-10(14-9)15-8-3-1-2-7(12)6(8)4-13/h1-3,5H.
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile?
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile has a molecular weight of 254.67 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile is sourced from PubChem (CID 83153340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).