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

C16H12FN3O2S — CID 741043

IUPACN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H12FN3O2S/c1-22-13-5-3-2-4-12(13)14(21)18-16-20-19-15(23-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21)
InChIKeyYNAZKVHGTNAKIA-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.61
Rot. Bonds4

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

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 741043) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID741043
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H12FN3O2S/c1-22-13-5-3-2-4-12(13)14(21)18-16-20-19-15(23-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21)
InChIKeyYNAZKVHGTNAKIA-UHFFFAOYSA-N
XLogP3.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1094114
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 897595
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1121149
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 695203

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 741043) is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is YNAZKVHGTNAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c1-22-13-5-3-2-4-12(13)14(21)18-16-20-19-15(23-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 329.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 741043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).