2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C19H18FN3O3S — CID 3212707

IUPAC2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C19H18FN3O3S/c1-25-12-11-23(18(24)15-5-3-4-6-16(15)20)19-22-21-17(27-19)13-7-9-14(26-2)10-8-13/h3-10H,11-12H2,1-2H3
InChIKeyLIJHFJPROHNTOO-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.65
Rot. Bonds7

About 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3212707) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3212707
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C19H18FN3O3S/c1-25-12-11-23(18(24)15-5-3-4-6-16(15)20)19-22-21-17(27-19)13-7-9-14(26-2)10-8-13/h3-10H,11-12H2,1-2H3
InChIKeyLIJHFJPROHNTOO-UHFFFAOYSA-N
XLogP3.65
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3212707) is 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is COCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is LIJHFJPROHNTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-25-12-11-23(18(24)15-5-3-4-6-16(15)20)19-22-21-17(27-19)13-7-9-14(26-2)10-8-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3212707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).