2-(1H-indol-3-yl)-1,3-thiazolidine

C11H12N2S — CID 3043139

IUPAC2-(1H-indol-3-yl)-1,3-thiazolidine
SMILESc1ccc2c(C3NCCS3)c[nH]c2c1
InChIInChI=1S/C11H12N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-4,7,11-13H,5-6H2
InChIKeyBNKKCGMLJYAMBT-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.50
Rot. Bonds1

About 2-(1H-indol-3-yl)-1,3-thiazolidine

2-(1H-indol-3-yl)-1,3-thiazolidine (PubChem CID 3043139) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1,3-thiazolidine
PubChem CID3043139
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-(1H-indol-3-yl)-1,3-thiazolidine
SMILESc1ccc2c(C3NCCS3)c[nH]c2c1
InChIInChI=1S/C11H12N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-4,7,11-13H,5-6H2
InChIKeyBNKKCGMLJYAMBT-UHFFFAOYSA-N
XLogP2.50
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
3-(3-methylpiperazin-2-yl)-1H-indole
CID 116829242
methane;3-piperidin-4-yl-1H-indole
CID 70444570
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
(1S)-7-bromo-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 125434619
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine
CID 82618895
3-(6-fluoropiperidin-2-yl)-1H-indole
CID 154427287
(2R)-2-pyridin-2-yl-1,3-thiazolidine
CID 92855443
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 69032046

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1,3-thiazolidine?
The IUPAC name of 2-(1H-indol-3-yl)-1,3-thiazolidine (CID 3043139) is 2-(1H-indol-3-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(1H-indol-3-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(1H-indol-3-yl)-1,3-thiazolidine is c1ccc2c(C3NCCS3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1,3-thiazolidine?
The InChIKey is BNKKCGMLJYAMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-4,7,11-13H,5-6H2.
What are the key properties of 2-(1H-indol-3-yl)-1,3-thiazolidine?
2-(1H-indol-3-yl)-1,3-thiazolidine has a molecular weight of 204.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1,3-thiazolidine is sourced from PubChem (CID 3043139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).