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

C20H20FN3OS — CID 1451572

IUPACN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)c2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H20FN3OS/c1-13(2)12-24(19(25)16-6-4-14(3)5-7-16)20-23-22-18(26-20)15-8-10-17(21)11-9-15/h4-11,13H,12H2,1-3H3
InChIKeyGCFAPTHPJRHKEI-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.96
Rot. Bonds5

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

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 1451572) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID1451572
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)c2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H20FN3OS/c1-13(2)12-24(19(25)16-6-4-14(3)5-7-16)20-23-22-18(26-20)15-8-10-17(21)11-9-15/h4-11,13H,12H2,1-3H3
InChIKeyGCFAPTHPJRHKEI-UHFFFAOYSA-N
XLogP4.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide (CID 1451572) is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(CC(C)C)c2nnc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is GCFAPTHPJRHKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13(2)12-24(19(25)16-6-4-14(3)5-7-16)20-23-22-18(26-20)15-8-10-17(21)11-9-15/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide?
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1451572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).