(5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate

C16H10ClFN2O3S — CID 24520839

IUPAC(5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate
SMILESO=C(OCc1nnsc1Cl)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H10ClFN2O3S/c17-15-14(19-20-24-15)9-22-16(21)10-1-5-12(6-2-10)23-13-7-3-11(18)4-8-13/h1-8H,9H2
InChIKeyVXKYZTHBQCPXRV-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.48
Rot. Bonds5

About (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate

(5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate (PubChem CID 24520839) has the molecular formula C16H10ClFN2O3S and a molecular weight of 364.79 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate
PubChem CID24520839
Molecular FormulaC16H10ClFN2O3S
Molecular Weight364.79 g/mol
Exact Mass364.01
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate
SMILESO=C(OCc1nnsc1Cl)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H10ClFN2O3S/c17-15-14(19-20-24-15)9-22-16(21)10-1-5-12(6-2-10)23-13-7-3-11(18)4-8-13/h1-8H,9H2
InChIKeyVXKYZTHBQCPXRV-UHFFFAOYSA-N
XLogP4.48
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate (CID 24520839) is (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate is O=C(OCc1nnsc1Cl)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate?
The InChIKey is VXKYZTHBQCPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O3S/c17-15-14(19-20-24-15)9-22-16(21)10-1-5-12(6-2-10)23-13-7-3-11(18)4-8-13/h1-8H,9H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate?
(5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate has a molecular weight of 364.79 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate is sourced from PubChem (CID 24520839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).