2-(1-benzofuran-2-yl)-1,3-thiazolidine

C11H11NOS — CID 63898466

IUPAC2-(1-benzofuran-2-yl)-1,3-thiazolidine
SMILESc1ccc2oc(C3NCCS3)cc2c1
InChIInChI=1S/C11H11NOS/c1-2-4-9-8(3-1)7-10(13-9)11-12-5-6-14-11/h1-4,7,11-12H,5-6H2
InChIKeyBXNZFSFVLXNVRZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.77
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-1,3-thiazolidine

2-(1-benzofuran-2-yl)-1,3-thiazolidine (PubChem CID 63898466) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1,3-thiazolidine
PubChem CID63898466
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(1-benzofuran-2-yl)-1,3-thiazolidine
SMILESc1ccc2oc(C3NCCS3)cc2c1
InChIInChI=1S/C11H11NOS/c1-2-4-9-8(3-1)7-10(13-9)11-12-5-6-14-11/h1-4,7,11-12H,5-6H2
InChIKeyBXNZFSFVLXNVRZ-UHFFFAOYSA-N
XLogP2.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66216793
2-cyclopropyl-1-benzofuran
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CID 63897339
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
CID 70240753
2-(1,3-benzodithiol-2-yl)-1-benzofuran
CID 102436432
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
3-(1-benzofuran-2-yl)-5-methyl-1,4-thiazepane
CID 66232168
(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide
CID 142711103
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
CID 118967498
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 112693433
2-(1-benzofuran-2-yl)piperazine-1-carbaldehyde
CID 170987579

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1,3-thiazolidine?
The IUPAC name of 2-(1-benzofuran-2-yl)-1,3-thiazolidine (CID 63898466) is 2-(1-benzofuran-2-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1,3-thiazolidine is c1ccc2oc(C3NCCS3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1,3-thiazolidine?
The InChIKey is BXNZFSFVLXNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-4-9-8(3-1)7-10(13-9)11-12-5-6-14-11/h1-4,7,11-12H,5-6H2.
What are the key properties of 2-(1-benzofuran-2-yl)-1,3-thiazolidine?
2-(1-benzofuran-2-yl)-1,3-thiazolidine has a molecular weight of 205.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 63898466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).