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

C18H13N3S2 — CID 122628108

IUPAC2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole
SMILESC(=C/c1[nH]c2ccccc2c1/C=C/c1nccs1)\c1nccs1
InChIInChI=1S/C18H13N3S2/c1-2-4-15-13(3-1)14(5-7-17-19-9-11-22-17)16(21-15)6-8-18-20-10-12-23-18/h1-12,21H/b7-5+,8-6+
InChIKeyYHPVNKJYKLNVFA-KQQUZDAGSA-N
MW335.46 g/mol
LogP5.42
Rot. Bonds4

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

2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole (PubChem CID 122628108) has the molecular formula C18H13N3S2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole
PubChem CID122628108
Molecular FormulaC18H13N3S2
Molecular Weight335.46 g/mol
Exact Mass335.06
IUPAC Name2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole
SMILESC(=C/c1[nH]c2ccccc2c1/C=C/c1nccs1)\c1nccs1
InChIInChI=1S/C18H13N3S2/c1-2-4-15-13(3-1)14(5-7-17-19-9-11-22-17)16(21-15)6-8-18-20-10-12-23-18/h1-12,21H/b7-5+,8-6+
InChIKeyYHPVNKJYKLNVFA-KQQUZDAGSA-N
XLogP5.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole?
The IUPAC name of 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole (CID 122628108) is 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole is C(=C/c1[nH]c2ccccc2c1/C=C/c1nccs1)\c1nccs1.
What is the InChIKey of 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole?
The InChIKey is YHPVNKJYKLNVFA-KQQUZDAGSA-N. The full InChI is InChI=1S/C18H13N3S2/c1-2-4-15-13(3-1)14(5-7-17-19-9-11-22-17)16(21-15)6-8-18-20-10-12-23-18/h1-12,21H/b7-5+,8-6+.
What are the key properties of 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole?
2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole has a molecular weight of 335.46 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole is sourced from PubChem (CID 122628108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).