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

C20H20FN3OS — CID 72925472

IUPAC3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide
SMILESCc1nnc(CCNC(=O)CC(c2ccccc2)c2ccccc2F)s1
InChIInChI=1S/C20H20FN3OS/c1-14-23-24-20(26-14)11-12-22-19(25)13-17(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21/h2-10,17H,11-13H2,1H3,(H,22,25)
InChIKeyTZJIQSVTIPXUGD-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.87
Rot. Bonds7

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

3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide (PubChem CID 72925472) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide
PubChem CID72925472
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide
SMILESCc1nnc(CCNC(=O)CC(c2ccccc2)c2ccccc2F)s1
InChIInChI=1S/C20H20FN3OS/c1-14-23-24-20(26-14)11-12-22-19(25)13-17(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21/h2-10,17H,11-13H2,1H3,(H,22,25)
InChIKeyTZJIQSVTIPXUGD-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 97270529
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 72850665
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
3-chloro-4-fluoro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 72924141
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 136831938
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 45228340
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 97200798
(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide
CID 97284820
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 26411426
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 42596150
(3R)-3-(2-methylphenyl)-3-phenyl-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97282614
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 72896575

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide (CID 72925472) is 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide is Cc1nnc(CCNC(=O)CC(c2ccccc2)c2ccccc2F)s1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide?
The InChIKey is TZJIQSVTIPXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14-23-24-20(26-14)11-12-22-19(25)13-17(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21/h2-10,17H,11-13H2,1H3,(H,22,25).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide?
3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide has a molecular weight of 369.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 72925472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).