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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Related Compounds

2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid
CID 107016422
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61229937
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorobenzonitrile
CID 62859550
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
CID 79513408
4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole
CID 83153457
2-[3-(chloromethyl)phenoxy]-6-fluorobenzonitrile
CID 112594505
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010

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).