N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C21H20FN3OS — CID 1444696

IUPACN-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(c1nnc(-c2ccc(F)cc2)s1)C1CCCC1
InChIInChI=1S/C21H20FN3OS/c22-17-12-10-16(11-13-17)20-23-24-21(27-20)25(18-8-4-5-9-18)19(26)14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,4-5,8-9,14H2
InChIKeyANPXIRVTBBQNBS-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.86
Rot. Bonds5

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

N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 1444696) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID1444696
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC NameN-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(c1nnc(-c2ccc(F)cc2)s1)C1CCCC1
InChIInChI=1S/C21H20FN3OS/c22-17-12-10-16(11-13-17)20-23-24-21(27-20)25(18-8-4-5-9-18)19(26)14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,4-5,8-9,14H2
InChIKeyANPXIRVTBBQNBS-UHFFFAOYSA-N
XLogP4.86
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444816
2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 1444802
N-butyl-2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230555
N-butyl-N-[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 70683137
N-butyl-N-[5-[3-[(dimethylamino)methyl]phenyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 70685209
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 70685212
N-Cyclopentyl-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444777
2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 1444730
N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 1444698
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbutanamide
CID 1451546
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1451547
1-Butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 2800882

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 1444696) is N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)N(c1nnc(-c2ccc(F)cc2)s1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is ANPXIRVTBBQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c22-17-12-10-16(11-13-17)20-23-24-21(27-20)25(18-8-4-5-9-18)19(26)14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,4-5,8-9,14H2.
What are the key properties of N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 381.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 1444696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).