N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide

C19H18FN3OS — CID 1444833

IUPACN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccccc1)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H18FN3OS/c1-2-11-23(17(24)12-14-7-4-3-5-8-14)19-22-21-18(25-19)15-9-6-10-16(20)13-15/h3-10,13H,2,11-12H2,1H3
InChIKeyJUPGFYRWVKSYRK-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.33
Rot. Bonds6

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

N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide (PubChem CID 1444833) 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]-2-phenyl-N-propylacetamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide
PubChem CID1444833
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccccc1)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H18FN3OS/c1-2-11-23(17(24)12-14-7-4-3-5-8-14)19-22-21-18(25-19)15-9-6-10-16(20)13-15/h3-10,13H,2,11-12H2,1H3
InChIKeyJUPGFYRWVKSYRK-UHFFFAOYSA-N
XLogP4.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Cyclopentyl-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444816
1-[[4-[5-[Butyl-(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 58390822
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-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3230576
4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 70681006
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-butyl-4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 70693634
4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-pentylbenzamide
CID 70693635
N-Cyclopentyl-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444777

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide (CID 1444833) is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide is CCCN(C(=O)Cc1ccccc1)c1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide?
The InChIKey is JUPGFYRWVKSYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-2-11-23(17(24)12-14-7-4-3-5-8-14)19-22-21-18(25-19)15-9-6-10-16(20)13-15/h3-10,13H,2,11-12H2,1H3.
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide?
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide has a molecular weight of 355.44 g/mol, XLogP of 4.33, 6 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]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 1444833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).