(5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate

C14H8ClFN2O3S — CID 46625607

IUPAC(5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate
SMILESO=C(OCc1nnsc1Cl)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C14H8ClFN2O3S/c15-13-10(17-18-22-13)7-20-14(19)12-6-5-11(21-12)8-3-1-2-4-9(8)16/h1-6H,7H2
InChIKeyPBNZAMYBZXJRPL-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.95
Rot. Bonds4

About (5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate

(5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate (PubChem CID 46625607) has the molecular formula C14H8ClFN2O3S and a molecular weight of 338.75 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate
PubChem CID46625607
Molecular FormulaC14H8ClFN2O3S
Molecular Weight338.75 g/mol
Exact Mass337.99
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate
SMILESO=C(OCc1nnsc1Cl)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C14H8ClFN2O3S/c15-13-10(17-18-22-13)7-20-14(19)12-6-5-11(21-12)8-3-1-2-4-9(8)16/h1-6H,7H2
InChIKeyPBNZAMYBZXJRPL-UHFFFAOYSA-N
XLogP3.95
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.95
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 5-(2-fluorophenyl)furan-2-carboxylate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate (CID 46625607) is (5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate is O=C(OCc1nnsc1Cl)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate?
The InChIKey is PBNZAMYBZXJRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O3S/c15-13-10(17-18-22-13)7-20-14(19)12-6-5-11(21-12)8-3-1-2-4-9(8)16/h1-6H,7H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate?
(5-chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate has a molecular weight of 338.75 g/mol, XLogP of 3.95, 4 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 5-(2-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 46625607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).