N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H16FN3O2S2 — CID 55447765

IUPACN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C18H16FN3O2S2/c19-12-4-1-3-11-13(8-10-26-17(11)12)20-15(23)6-7-16-21-18(22-24-16)14-5-2-9-25-14/h1-5,9,13H,6-8,10H2,(H,20,23)
InChIKeyAJUFLCVRIQUXIE-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.22
Rot. Bonds5

About N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55447765) has the molecular formula C18H16FN3O2S2 and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55447765
Molecular FormulaC18H16FN3O2S2
Molecular Weight389.48 g/mol
Exact Mass389.07
IUPAC NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C18H16FN3O2S2/c19-12-4-1-3-11-13(8-10-26-17(11)12)20-15(23)6-7-16-21-18(22-24-16)14-5-2-9-25-14/h1-5,9,13H,6-8,10H2,(H,20,23)
InChIKeyAJUFLCVRIQUXIE-UHFFFAOYSA-N
XLogP4.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 55569695
N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119474585
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478867
N-[3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-oxopropyl]benzamide
CID 17394546
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 18120693
N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229501
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
N-(1,1-dioxothiolan-3-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453480

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55447765) is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)NC1CCSc2c(F)cccc21.
What is the InChIKey of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is AJUFLCVRIQUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S2/c19-12-4-1-3-11-13(8-10-26-17(11)12)20-15(23)6-7-16-21-18(22-24-16)14-5-2-9-25-14/h1-5,9,13H,6-8,10H2,(H,20,23).
What are the key properties of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 389.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55447765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).