4-(1H-indol-3-yl)-1,3-thiazole

C11H8N2S — CID 102110003

IUPAC4-(1H-indol-3-yl)-1,3-thiazole
SMILESc1ccc2c(-c3cscn3)c[nH]c2c1
InChIInChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(5-12-10)11-6-14-7-13-11/h1-7,12H
InChIKeyWMACHIODVOSLNK-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 4-(1H-indol-3-yl)-1,3-thiazole

4-(1H-indol-3-yl)-1,3-thiazole (PubChem CID 102110003) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1,3-thiazole
PubChem CID102110003
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name4-(1H-indol-3-yl)-1,3-thiazole
SMILESc1ccc2c(-c3cscn3)c[nH]c2c1
InChIInChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(5-12-10)11-6-14-7-13-11/h1-7,12H
InChIKeyWMACHIODVOSLNK-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 4-(1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-yl)-1,3-thiazole (CID 102110003) is 4-(1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-yl)-1,3-thiazole is c1ccc2c(-c3cscn3)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-1,3-thiazole?
The InChIKey is WMACHIODVOSLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(5-12-10)11-6-14-7-13-11/h1-7,12H.
What are the key properties of 4-(1H-indol-3-yl)-1,3-thiazole?
4-(1H-indol-3-yl)-1,3-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 4-(1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 102110003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).