1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone

C24H21FN2O2S — CID 58217462

IUPAC1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone
SMILESCc1ccc(Oc2cnc(CC(=O)c3cn(CC4CC4)c4cc(F)ccc34)s2)cc1
InChIInChI=1S/C24H21FN2O2S/c1-15-2-7-18(8-3-15)29-24-12-26-23(30-24)11-22(28)20-14-27(13-16-4-5-16)21-10-17(25)6-9-19(20)21/h2-3,6-10,12,14,16H,4-5,11,13H2,1H3
InChIKeyQJVUZABWHJFJHN-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.17
Rot. Bonds7

About 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone

1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone (PubChem CID 58217462) has the molecular formula C24H21FN2O2S and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone
PubChem CID58217462
Molecular FormulaC24H21FN2O2S
Molecular Weight420.51 g/mol
Exact Mass420.13
IUPAC Name1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone
SMILESCc1ccc(Oc2cnc(CC(=O)c3cn(CC4CC4)c4cc(F)ccc34)s2)cc1
InChIInChI=1S/C24H21FN2O2S/c1-15-2-7-18(8-3-15)29-24-12-26-23(30-24)11-22(28)20-14-27(13-16-4-5-16)21-10-17(25)6-9-19(20)21/h2-3,6-10,12,14,16H,4-5,11,13H2,1H3
InChIKeyQJVUZABWHJFJHN-UHFFFAOYSA-N
XLogP6.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone (CID 58217462) is 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone is Cc1ccc(Oc2cnc(CC(=O)c3cn(CC4CC4)c4cc(F)ccc34)s2)cc1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone?
The InChIKey is QJVUZABWHJFJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2S/c1-15-2-7-18(8-3-15)29-24-12-26-23(30-24)11-22(28)20-14-27(13-16-4-5-16)21-10-17(25)6-9-19(20)21/h2-3,6-10,12,14,16H,4-5,11,13H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone?
1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone has a molecular weight of 420.51 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-[5-(4-methylphenoxy)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 58217462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).