2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

C16H14FN3OS — CID 71579661

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1
InChIInChI=1S/C16H14FN3OS/c17-13-3-1-12(2-4-13)16-19-18-15(21-16)10-20-7-5-11-6-8-22-14(11)9-20/h1-4,6,8H,5,7,9-10H2
InChIKeyDMHKGBWMWSEBJH-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.50
Rot. Bonds3

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 71579661) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID71579661
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1
InChIInChI=1S/C16H14FN3OS/c17-13-3-1-12(2-4-13)16-19-18-15(21-16)10-20-7-5-11-6-8-22-14(11)9-20/h1-4,6,8H,5,7,9-10H2
InChIKeyDMHKGBWMWSEBJH-UHFFFAOYSA-N
XLogP3.50
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]phthalazin-1-one
CID 9507085
2,2,2-Trifluoro-1-(5-(4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl)thiophen-2-yl)ethanone
CID 44589736
2-[(4-Fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 5308698
N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 78790965
1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 145986340
N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 16325159
3-morpholin-4-ylsulfonyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 16300048
(4-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 56763912
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 86977120
2-[(2-Phenylpyrrolidin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 133792026
N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 133980835
2-(1,3-Dihydroisoindol-2-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 145968608

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 71579661) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is DMHKGBWMWSEBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c17-13-3-1-12(2-4-13)16-19-18-15(21-16)10-20-7-5-11-6-8-22-14(11)9-20/h1-4,6,8H,5,7,9-10H2.
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 315.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71579661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).