5-(1H-indol-6-yl)-1,2-thiazole

C11H8N2S — CID 67415319

IUPAC5-(1H-indol-6-yl)-1,2-thiazole
SMILESc1cc(-c2ccc3cc[nH]c3c2)sn1
InChIInChI=1S/C11H8N2S/c1-2-9(11-4-6-13-14-11)7-10-8(1)3-5-12-10/h1-7,12H
InChIKeyZROLPIBMEVESAN-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 5-(1H-indol-6-yl)-1,2-thiazole

5-(1H-indol-6-yl)-1,2-thiazole (PubChem CID 67415319) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-(1H-indol-6-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(1H-indol-6-yl)-1,2-thiazole
PubChem CID67415319
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name5-(1H-indol-6-yl)-1,2-thiazole
SMILESc1cc(-c2ccc3cc[nH]c3c2)sn1
InChIInChI=1S/C11H8N2S/c1-2-9(11-4-6-13-14-11)7-10-8(1)3-5-12-10/h1-7,12H
InChIKeyZROLPIBMEVESAN-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 5-(1H-indol-6-yl)-1,2-thiazole?
The IUPAC name of 5-(1H-indol-6-yl)-1,2-thiazole (CID 67415319) is 5-(1H-indol-6-yl)-1,2-thiazole.
What is the SMILES notation for 5-(1H-indol-6-yl)-1,2-thiazole?
The canonical SMILES for 5-(1H-indol-6-yl)-1,2-thiazole is c1cc(-c2ccc3cc[nH]c3c2)sn1.
What is the InChIKey of 5-(1H-indol-6-yl)-1,2-thiazole?
The InChIKey is ZROLPIBMEVESAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-9(11-4-6-13-14-11)7-10-8(1)3-5-12-10/h1-7,12H.
What are the key properties of 5-(1H-indol-6-yl)-1,2-thiazole?
5-(1H-indol-6-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 5-(1H-indol-6-yl)-1,2-thiazole is sourced from PubChem (CID 67415319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).