(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine

C11H13NOS — CID 129367473

IUPAC(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
SMILESc1cc2c(cc1[C@H]1NCCS1)CCO2
InChIInChI=1S/C11H13NOS/c1-2-10-8(3-5-13-10)7-9(1)11-12-4-6-14-11/h1-2,7,11-12H,3-6H2/t11-/m0/s1
InChIKeyHZBYZMGGLZTYJU-NSHDSACASA-N
MW207.30 g/mol
LogP1.96
Rot. Bonds1

About (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine

(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine (PubChem CID 129367473) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
PubChem CID129367473
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
SMILESc1cc2c(cc1[C@H]1NCCS1)CCO2
InChIInChI=1S/C11H13NOS/c1-2-10-8(3-5-13-10)7-9(1)11-12-4-6-14-11/h1-2,7,11-12H,3-6H2/t11-/m0/s1
InChIKeyHZBYZMGGLZTYJU-NSHDSACASA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
CID 171193100
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106543799
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232
(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945210

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine?
The IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine (CID 129367473) is (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine is c1cc2c(cc1[C@H]1NCCS1)CCO2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine?
The InChIKey is HZBYZMGGLZTYJU-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-10-8(3-5-13-10)7-9(1)11-12-4-6-14-11/h1-2,7,11-12H,3-6H2/t11-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine?
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine has a molecular weight of 207.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine is sourced from PubChem (CID 129367473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).