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

C18H14N2S — CID 735717

IUPAC2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C18H14N2S/c1-12-6-8-13(9-7-12)17-11-21-18(20-17)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3
InChIKeyMVNXSBSNUVMBEK-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.27
Rot. Bonds2

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

2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 735717) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
PubChem CID735717
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C18H14N2S/c1-12-6-8-13(9-7-12)17-11-21-18(20-17)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3
InChIKeyMVNXSBSNUVMBEK-UHFFFAOYSA-N
XLogP5.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole (CID 735717) is 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is MVNXSBSNUVMBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-12-6-8-13(9-7-12)17-11-21-18(20-17)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3.
What are the key properties of 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole?
2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 290.39 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 735717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).