N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H16FN5O2S — CID 46972278

IUPACN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cc(-c2csc(NC(=O)CCc3nc(-c4cccnc4)no3)n2)ccc1F
InChIInChI=1S/C20H16FN5O2S/c1-12-9-13(4-5-15(12)21)16-11-29-20(23-16)24-17(27)6-7-18-25-19(26-28-18)14-3-2-8-22-10-14/h2-5,8-11H,6-7H2,1H3,(H,23,24,27)
InChIKeyTVDWQOWAERTSBT-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.27
Rot. Bonds6

About N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46972278) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46972278
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC NameN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cc(-c2csc(NC(=O)CCc3nc(-c4cccnc4)no3)n2)ccc1F
InChIInChI=1S/C20H16FN5O2S/c1-12-9-13(4-5-15(12)21)16-11-29-20(23-16)24-17(27)6-7-18-25-19(26-28-18)14-3-2-8-22-10-14/h2-5,8-11H,6-7H2,1H3,(H,23,24,27)
InChIKeyTVDWQOWAERTSBT-UHFFFAOYSA-N
XLogP4.27
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methyl-3-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746073
US20230293517, Example 6.31
CID 162688048
4-fluoro-N-(4-(3-oxo-3-((4-(pyridin-3-yl)thiazol-2-yl)amino)propyl)thiazol-2-yl)benzamide
CID 45502012
(2S)-2-[[3-[4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 137632557
US20250084074, Example 52
CID 168974380
US20250084074, Example 103
CID 168974470
2-(2-((4-methylbenzyl)thio)thiazol-4-yl)-N-(4-(pyridin-3-yl)thiazol-2-yl)acetamide
CID 45503584
N-(3-(2-methylthiazol-4-yl)phenyl)-2-(2-(pyrimidin-2-ylamino)thiazol-4-yl)acetamide
CID 49677920
5-[(4-Methyl-1,3-thiazol-5-yl)methyl]-9-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
CID 110200533
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39172714
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 46971850
N-(2-Fluorophenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-YL)sulfanyl]methyl}-1,2,4-oxadiazol-5-YL)propanamide
CID 50810073

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 46972278) is N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1cc(-c2csc(NC(=O)CCc3nc(-c4cccnc4)no3)n2)ccc1F.
What is the InChIKey of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is TVDWQOWAERTSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-12-9-13(4-5-15(12)21)16-11-29-20(23-16)24-17(27)6-7-18-25-19(26-28-18)14-3-2-8-22-10-14/h2-5,8-11H,6-7H2,1H3,(H,23,24,27).
What are the key properties of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 409.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46972278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).