4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile

C9H3ClFN3OS — CID 107664648

IUPAC4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2nsnc2Cl)c(F)c1
InChIInChI=1S/C9H3ClFN3OS/c10-8-9(14-16-13-8)15-7-2-1-5(4-12)3-6(7)11/h1-3H
InChIKeyKVCSYMUKUGWUSV-UHFFFAOYSA-N
MW255.66 g/mol
LogP2.99
Rot. Bonds2

About 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile

4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile (PubChem CID 107664648) has the molecular formula C9H3ClFN3OS and a molecular weight of 255.66 g/mol. Its IUPAC name is 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile
PubChem CID107664648
Molecular FormulaC9H3ClFN3OS
Molecular Weight255.66 g/mol
Exact Mass254.97
IUPAC Name4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2nsnc2Cl)c(F)c1
InChIInChI=1S/C9H3ClFN3OS/c10-8-9(14-16-13-8)15-7-2-1-5(4-12)3-6(7)11/h1-3H
InChIKeyKVCSYMUKUGWUSV-UHFFFAOYSA-N
XLogP2.99
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile (CID 107664648) is 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile is N#Cc1ccc(Oc2nsnc2Cl)c(F)c1.
What is the InChIKey of 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile?
The InChIKey is KVCSYMUKUGWUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClFN3OS/c10-8-9(14-16-13-8)15-7-2-1-5(4-12)3-6(7)11/h1-3H.
What are the key properties of 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile?
4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile has a molecular weight of 255.66 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile is sourced from PubChem (CID 107664648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).