4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole

C11H8N4S — CID 136650660

IUPAC4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole
SMILESC(=Cc1cc2ccccc2[nH]1)c1nnsn1
InChIInChI=1S/C11H8N4S/c1-2-4-10-8(3-1)7-9(12-10)5-6-11-13-15-16-14-11/h1-7,12H
InChIKeyODWRHOJFIBZOAT-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.58
Rot. Bonds2

About 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole

4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole (PubChem CID 136650660) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole.

Molecular Properties

Compound Name4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole
PubChem CID136650660
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole
SMILESC(=Cc1cc2ccccc2[nH]1)c1nnsn1
InChIInChI=1S/C11H8N4S/c1-2-4-10-8(3-1)7-9(12-10)5-6-11-13-15-16-14-11/h1-7,12H
InChIKeyODWRHOJFIBZOAT-UHFFFAOYSA-N
XLogP2.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole
CID 136504640
ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 143924426
2-[(E)-2-pyridin-3-ylethenyl]-1H-indole
CID 15012698
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960
2-[(E)-2-(1H-indol-2-yl)ethenyl]-1-methylquinolin-1-ium iodide
CID 118736720
2-[(E)-dec-1-enyl]-1H-indole
CID 118043504
2-(4-methoxypenta-1,4-dienyl)-1H-indole
CID 142763611
N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine
CID 136951952
N-(1H-indol-2-ylmethylideneamino)-N-methylmethanamine
CID 137238408
5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
CID 132521621
ethane;ethyl (E)-3-(1H-indol-2-yl)prop-2-enoate
CID 145445804
ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate
CID 143581966

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole?
The IUPAC name of 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole (CID 136650660) is 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole.
What is the SMILES notation for 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole?
The canonical SMILES for 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole is C(=Cc1cc2ccccc2[nH]1)c1nnsn1.
What is the InChIKey of 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole?
The InChIKey is ODWRHOJFIBZOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-2-4-10-8(3-1)7-9(12-10)5-6-11-13-15-16-14-11/h1-7,12H.
What are the key properties of 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole?
4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole has a molecular weight of 228.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole is sourced from PubChem (CID 136650660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).