3-(1H-indol-5-yl)-1,2-thiazole

C11H8N2S — CID 67415967

IUPAC3-(1H-indol-5-yl)-1,2-thiazole
SMILESc1cc2cc(-c3ccsn3)ccc2[nH]1
InChIInChI=1S/C11H8N2S/c1-2-10-9(3-5-12-10)7-8(1)11-4-6-14-13-11/h1-7,12H
InChIKeyHZPVWUXWXXDSAP-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 3-(1H-indol-5-yl)-1,2-thiazole

3-(1H-indol-5-yl)-1,2-thiazole (PubChem CID 67415967) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-1,2-thiazole
PubChem CID67415967
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name3-(1H-indol-5-yl)-1,2-thiazole
SMILESc1cc2cc(-c3ccsn3)ccc2[nH]1
InChIInChI=1S/C11H8N2S/c1-2-10-9(3-5-12-10)7-8(1)11-4-6-14-13-11/h1-7,12H
InChIKeyHZPVWUXWXXDSAP-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-1,2-thiazole?
The IUPAC name of 3-(1H-indol-5-yl)-1,2-thiazole (CID 67415967) is 3-(1H-indol-5-yl)-1,2-thiazole.
What is the SMILES notation for 3-(1H-indol-5-yl)-1,2-thiazole?
The canonical SMILES for 3-(1H-indol-5-yl)-1,2-thiazole is c1cc2cc(-c3ccsn3)ccc2[nH]1.
What is the InChIKey of 3-(1H-indol-5-yl)-1,2-thiazole?
The InChIKey is HZPVWUXWXXDSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-10-9(3-5-12-10)7-8(1)11-4-6-14-13-11/h1-7,12H.
What are the key properties of 3-(1H-indol-5-yl)-1,2-thiazole?
3-(1H-indol-5-yl)-1,2-thiazole has a molecular weight of 200.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-1,2-thiazole is sourced from PubChem (CID 67415967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).