(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C14H12BrNO2S — CID 42556194

IUPAC(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(Br)cc1[C@@H]1CC(=O)Nc2ccsc21
InChIInChI=1S/C14H12BrNO2S/c1-18-12-3-2-8(15)6-9(12)10-7-13(17)16-11-4-5-19-14(10)11/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyARVSOKSUELHKTK-JTQLQIEISA-N
MW338.23 g/mol
LogP3.99
Rot. Bonds2

About (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42556194) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42556194
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(Br)cc1[C@@H]1CC(=O)Nc2ccsc21
InChIInChI=1S/C14H12BrNO2S/c1-18-12-3-2-8(15)6-9(12)10-7-13(17)16-11-4-5-19-14(10)11/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyARVSOKSUELHKTK-JTQLQIEISA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

(7R)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42587083
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 1169303
(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 1257780
4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2973014
(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556465
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763371
7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50945296
(7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590765
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
(4S)-4-(5-bromo-2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833121
7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763366

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42556194) is (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2ccsc21.
What is the InChIKey of (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ARVSOKSUELHKTK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12BrNO2S/c1-18-12-3-2-8(15)6-9(12)10-7-13(17)16-11-4-5-19-14(10)11/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 338.23 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42556194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).