5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

C16H11ClFN3O2S — CID 4606325

IUPAC5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H11ClFN3O2S/c1-23-13-7-4-10(17)8-12(13)14(22)19-16-21-20-15(24-16)9-2-5-11(18)6-3-9/h2-8H,1H3,(H,19,21,22)
InChIKeyRVAKCLUIZRAFAW-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.26
Rot. Bonds4

About 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 4606325) has the molecular formula C16H11ClFN3O2S and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID4606325
Molecular FormulaC16H11ClFN3O2S
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC Name5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H11ClFN3O2S/c1-23-13-7-4-10(17)8-12(13)14(22)19-16-21-20-15(24-16)9-2-5-11(18)6-3-9/h2-8H,1H3,(H,19,21,22)
InChIKeyRVAKCLUIZRAFAW-UHFFFAOYSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 4606325) is 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is RVAKCLUIZRAFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S/c1-23-13-7-4-10(17)8-12(13)14(22)19-16-21-20-15(24-16)9-2-5-11(18)6-3-9/h2-8H,1H3,(H,19,21,22).
What are the key properties of 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 363.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 4606325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).