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

C19H18FN3OS — CID 1444830

IUPACN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H18FN3OS/c1-3-11-23(18(24)14-9-7-13(2)8-10-14)19-22-21-17(25-19)15-5-4-6-16(20)12-15/h4-10,12H,3,11H2,1-2H3
InChIKeyUWAZNAOAPMKZCC-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.71
Rot. Bonds5

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

N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide (PubChem CID 1444830) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide
PubChem CID1444830
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H18FN3OS/c1-3-11-23(18(24)14-9-7-13(2)8-10-14)19-22-21-17(25-19)15-5-4-6-16(20)12-15/h4-10,12H,3,11H2,1-2H3
InChIKeyUWAZNAOAPMKZCC-UHFFFAOYSA-N
XLogP4.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide (CID 1444830) is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide is CCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide?
The InChIKey is UWAZNAOAPMKZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-3-11-23(18(24)14-9-7-13(2)8-10-14)19-22-21-17(25-19)15-5-4-6-16(20)12-15/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide?
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 1444830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).