2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone

C14H13NOS — CID 116613125

IUPAC2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc3c(c2)CNC3)cs1
InChIInChI=1S/C14H13NOS/c1-9-4-13(8-17-9)14(16)10-2-3-11-6-15-7-12(11)5-10/h2-5,8,15H,6-7H2,1H3
InChIKeyZPGIDXSKWUZIPA-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.89
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone

2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone (PubChem CID 116613125) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone
PubChem CID116613125
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc3c(c2)CNC3)cs1
InChIInChI=1S/C14H13NOS/c1-9-4-13(8-17-9)14(16)10-2-3-11-6-15-7-12(11)5-10/h2-5,8,15H,6-7H2,1H3
InChIKeyZPGIDXSKWUZIPA-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-bromophenyl)-(5-methylthiophen-3-yl)methanone
CID 116582141
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991
2,3-dihydro-1H-isoindol-5-yl-(3-methyltriazol-4-yl)methanone
CID 114692378
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
CID 116612892
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone
CID 116613024
(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976016
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone (CID 116613125) is 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc3c(c2)CNC3)cs1.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone?
The InChIKey is ZPGIDXSKWUZIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-4-13(8-17-9)14(16)10-2-3-11-6-15-7-12(11)5-10/h2-5,8,15H,6-7H2,1H3.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone?
2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone has a molecular weight of 243.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 116613125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).