2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole

C18H16N2S — CID 953932

IUPAC2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole
SMILESCc1nc2c3ccccc3n(CCc3ccccc3)c2s1
InChIInChI=1S/C18H16N2S/c1-13-19-17-15-9-5-6-10-16(15)20(18(17)21-13)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyFEJOUSXPCNHJDO-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.80
Rot. Bonds3

About 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole

2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole (PubChem CID 953932) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole
PubChem CID953932
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole
SMILESCc1nc2c3ccccc3n(CCc3ccccc3)c2s1
InChIInChI=1S/C18H16N2S/c1-13-19-17-15-9-5-6-10-16(15)20(18(17)21-13)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyFEJOUSXPCNHJDO-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole (CID 953932) is 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole is Cc1nc2c3ccccc3n(CCc3ccccc3)c2s1.
What is the InChIKey of 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole?
The InChIKey is FEJOUSXPCNHJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-13-19-17-15-9-5-6-10-16(15)20(18(17)21-13)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3.
What are the key properties of 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole?
2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole has a molecular weight of 292.41 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylethyl)-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 953932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).