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

C19H18FN3O2S — CID 1451690

IUPAC2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C19H18FN3O2S/c1-3-12-23(18(24)15-6-4-5-7-16(15)20)19-22-21-17(26-19)13-8-10-14(25-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyIAGKQVWCWQZQDC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.41
Rot. Bonds6

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

2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide (PubChem CID 1451690) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
PubChem CID1451690
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C19H18FN3O2S/c1-3-12-23(18(24)15-6-4-5-7-16(15)20)19-22-21-17(26-19)13-8-10-14(25-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyIAGKQVWCWQZQDC-UHFFFAOYSA-N
XLogP4.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The IUPAC name of 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide (CID 1451690) is 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide.
What is the SMILES notation for 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The canonical SMILES for 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide is CCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The InChIKey is IAGKQVWCWQZQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-3-12-23(18(24)15-6-4-5-7-16(15)20)19-22-21-17(26-19)13-8-10-14(25-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide has a molecular weight of 371.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide is sourced from PubChem (CID 1451690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).