4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole

C19H16N2S — CID 735718

IUPAC4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole
SMILESCCc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H16N2S/c1-2-13-7-9-14(10-8-13)18-12-22-19(21-18)16-11-20-17-6-4-3-5-15(16)17/h3-12,20H,2H2,1H3
InChIKeyVROWZIWQXQCYCQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.52
Rot. Bonds3

About 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole

4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole (PubChem CID 735718) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole
PubChem CID735718
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole
SMILESCCc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H16N2S/c1-2-13-7-9-14(10-8-13)18-12-22-19(21-18)16-11-20-17-6-4-3-5-15(16)17/h3-12,20H,2H2,1H3
InChIKeyVROWZIWQXQCYCQ-UHFFFAOYSA-N
XLogP5.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole (CID 735718) is 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole is CCc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole?
The InChIKey is VROWZIWQXQCYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-2-13-7-9-14(10-8-13)18-12-22-19(21-18)16-11-20-17-6-4-3-5-15(16)17/h3-12,20H,2H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole?
4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-(1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 735718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).