3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole

C13H10N2S — CID 136504640

IUPAC3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole
SMILESC(=Cc1cc2ccccc2[nH]1)c1ccsn1
InChIInChI=1S/C13H10N2S/c1-2-4-13-10(3-1)9-12(14-13)6-5-11-7-8-16-15-11/h1-9,14H
InChIKeyREQVCTQDGLKUCG-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.79
Rot. Bonds2

About 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole

3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole (PubChem CID 136504640) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole.

Molecular Properties

Compound Name3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole
PubChem CID136504640
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole
SMILESC(=Cc1cc2ccccc2[nH]1)c1ccsn1
InChIInChI=1S/C13H10N2S/c1-2-4-13-10(3-1)9-12(14-13)6-5-11-7-8-16-15-11/h1-9,14H
InChIKeyREQVCTQDGLKUCG-UHFFFAOYSA-N
XLogP3.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole?
The IUPAC name of 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole (CID 136504640) is 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole.
What is the SMILES notation for 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole?
The canonical SMILES for 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole is C(=Cc1cc2ccccc2[nH]1)c1ccsn1.
What is the InChIKey of 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole?
The InChIKey is REQVCTQDGLKUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-4-13-10(3-1)9-12(14-13)6-5-11-7-8-16-15-11/h1-9,14H.
What are the key properties of 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole?
3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole has a molecular weight of 226.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole is sourced from PubChem (CID 136504640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).