[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone

C16H10ClFN2O2S — CID 51110491

IUPAC[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(OCc2nnsc2Cl)cc1
InChIInChI=1S/C16H10ClFN2O2S/c17-16-14(19-20-23-16)9-22-13-7-3-11(4-8-13)15(21)10-1-5-12(18)6-2-10/h1-8H,9H2
InChIKeyNIOFQJOXTWCWMT-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.14
Rot. Bonds5

About [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone

[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone (PubChem CID 51110491) has the molecular formula C16H10ClFN2O2S and a molecular weight of 348.79 g/mol. Its IUPAC name is [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
PubChem CID51110491
Molecular FormulaC16H10ClFN2O2S
Molecular Weight348.79 g/mol
Exact Mass348.01
IUPAC Name[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(OCc2nnsc2Cl)cc1
InChIInChI=1S/C16H10ClFN2O2S/c17-16-14(19-20-23-16)9-22-13-7-3-11(4-8-13)15(21)10-1-5-12(18)6-2-10/h1-8H,9H2
InChIKeyNIOFQJOXTWCWMT-UHFFFAOYSA-N
XLogP4.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Chloro-1,2,3-thiadiazol-4-yl)methoxy]-benzenecarbaldehyde
CID 2764040
2-[(5-Chloro-1,2,3-thiadiazol-4-yl)methoxy]benzenecarbaldehyde
CID 1479067
[4-(4-Fluorobenzoyl)phenyl] 4-ethylthiadiazole-5-carboxylate
CID 9192505
(5-Chlorothiadiazol-4-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 24495945
(5-Chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate
CID 24520839
(5-Chlorothiadiazol-4-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 46625607
1-[2-[(5-Chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone
CID 75384581
4-[(5-Chlorothiadiazol-4-yl)methoxy]-2-fluorobenzoic acid
CID 113988193
1-[4-[(5-Chlorothiadiazol-4-yl)methoxy]phenyl]ethanone
CID 39991818
5-Chloro-4-[(4-phenylphenoxy)methyl]thiadiazole
CID 8006692
7-[(5-Chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 9319100
7-[(5-Chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 9438107

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone (CID 51110491) is [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(OCc2nnsc2Cl)cc1.
What is the InChIKey of [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is NIOFQJOXTWCWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2S/c17-16-14(19-20-23-16)9-22-13-7-3-11(4-8-13)15(21)10-1-5-12(18)6-2-10/h1-8H,9H2.
What are the key properties of [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone?
[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 348.79 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 51110491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).