6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine

C17H13ClFN3OS — CID 158275768

IUPAC6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)SCC3N)no1
InChIInChI=1S/C17H13ClFN3OS/c1-8-21-17(22-23-8)16-12(5-10(18)6-13(16)19)9-2-3-11-14(20)7-24-15(11)4-9/h2-6,14H,7,20H2,1H3
InChIKeyCHVJEFRJBUPCEX-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.61
Rot. Bonds2

About 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine

6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 158275768) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID158275768
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC Name6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)SCC3N)no1
InChIInChI=1S/C17H13ClFN3OS/c1-8-21-17(22-23-8)16-12(5-10(18)6-13(16)19)9-2-3-11-14(20)7-24-15(11)4-9/h2-6,14H,7,20H2,1H3
InChIKeyCHVJEFRJBUPCEX-UHFFFAOYSA-N
XLogP4.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 158275768) is 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine is Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)SCC3N)no1.
What is the InChIKey of 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is CHVJEFRJBUPCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c1-8-21-17(22-23-8)16-12(5-10(18)6-13(16)19)9-2-3-11-14(20)7-24-15(11)4-9/h2-6,14H,7,20H2,1H3.
What are the key properties of 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine?
6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 361.83 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 158275768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).