4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide

C19H18FN3O2S — CID 86938318

IUPAC4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc1C
InChIInChI=1S/C19H18FN3O2S/c1-3-25-16-9-8-14(10-12(16)2)18(24)21-19-23-22-17(26-19)11-13-6-4-5-7-15(13)20/h4-10H,3,11H2,1-2H3,(H,21,23,24)
InChIKeyKOGNJEAQZOSKGS-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.23
Rot. Bonds6

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

4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide (PubChem CID 86938318) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
PubChem CID86938318
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc1C
InChIInChI=1S/C19H18FN3O2S/c1-3-25-16-9-8-14(10-12(16)2)18(24)21-19-23-22-17(26-19)11-13-6-4-5-7-15(13)20/h4-10H,3,11H2,1-2H3,(H,21,23,24)
InChIKeyKOGNJEAQZOSKGS-UHFFFAOYSA-N
XLogP4.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 86937929
3-bromo-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 23909333
4-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319861
4-ethoxy-3-methyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100543309
3,4-diethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077819
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307
2-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319851
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
3,4-dimethyl-N-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35213118
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
N-[5-[2-[(2Z)-2-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 6000189
4-bromo-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319539

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The IUPAC name of 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide (CID 86938318) is 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide is CCOc1ccc(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc1C.
What is the InChIKey of 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The InChIKey is KOGNJEAQZOSKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-3-25-16-9-8-14(10-12(16)2)18(24)21-19-23-22-17(26-19)11-13-6-4-5-7-15(13)20/h4-10H,3,11H2,1-2H3,(H,21,23,24).
What are the key properties of 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide has a molecular weight of 371.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 86938318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).