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

C18H14N2S — CID 963414

IUPAC2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
SMILESc1ccc(Cc2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C18H14N2S/c1-2-6-13(7-3-1)10-18-20-17(12-21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2
InChIKeyWDJMTGVQPKSATB-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.88
Rot. Bonds3

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

2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole (PubChem CID 963414) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
PubChem CID963414
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
SMILESc1ccc(Cc2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C18H14N2S/c1-2-6-13(7-3-1)10-18-20-17(12-21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2
InChIKeyWDJMTGVQPKSATB-UHFFFAOYSA-N
XLogP4.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole (CID 963414) is 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole is c1ccc(Cc2nc(-c3c[nH]c4ccccc34)cs2)cc1.
What is the InChIKey of 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole?
The InChIKey is WDJMTGVQPKSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-2-6-13(7-3-1)10-18-20-17(12-21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2.
What are the key properties of 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole?
2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole has a molecular weight of 290.39 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 963414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).