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

C20H18FN3OS — CID 58390846

IUPACN-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide
SMILESC=Cc1ccc(-c2nnc(N(CCC)C(=O)c3ccccc3F)s2)cc1
InChIInChI=1S/C20H18FN3OS/c1-3-13-24(19(25)16-7-5-6-8-17(16)21)20-23-22-18(26-20)15-11-9-14(4-2)10-12-15/h4-12H,2-3,13H2,1H3
InChIKeyAKMOGOOXBVJWPG-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.04
Rot. Bonds6

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

N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide (PubChem CID 58390846) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide
PubChem CID58390846
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC NameN-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide
SMILESC=Cc1ccc(-c2nnc(N(CCC)C(=O)c3ccccc3F)s2)cc1
InChIInChI=1S/C20H18FN3OS/c1-3-13-24(19(25)16-7-5-6-8-17(16)21)20-23-22-18(26-20)15-11-9-14(4-2)10-12-15/h4-12H,2-3,13H2,1H3
InChIKeyAKMOGOOXBVJWPG-UHFFFAOYSA-N
XLogP5.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide?
The IUPAC name of N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide (CID 58390846) is N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide.
What is the SMILES notation for N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide?
The canonical SMILES for N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide is C=Cc1ccc(-c2nnc(N(CCC)C(=O)c3ccccc3F)s2)cc1.
What is the InChIKey of N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide?
The InChIKey is AKMOGOOXBVJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-3-13-24(19(25)16-7-5-6-8-17(16)21)20-23-22-18(26-20)15-11-9-14(4-2)10-12-15/h4-12H,2-3,13H2,1H3.
What are the key properties of N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide?
N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-propylbenzamide is sourced from PubChem (CID 58390846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).