(5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone

C24H17N3O2S — CID 67914997

IUPAC(5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccnc2)n1)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H17N3O2S/c28-23(22-15-30-24(27-22)17-7-4-10-25-12-17)20-13-26-21-9-8-18(11-19(20)21)29-14-16-5-2-1-3-6-16/h1-13,15,26H,14H2
InChIKeyHYLQTHQUWGGJCW-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.50
Rot. Bonds6

About (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone

(5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 67914997) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID67914997
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC Name(5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccnc2)n1)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H17N3O2S/c28-23(22-15-30-24(27-22)17-7-4-10-25-12-17)20-13-26-21-9-8-18(11-19(20)21)29-14-16-5-2-1-3-6-16/h1-13,15,26H,14H2
InChIKeyHYLQTHQUWGGJCW-UHFFFAOYSA-N
XLogP5.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone 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 (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone (CID 67914997) is (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cccnc2)n1)c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is HYLQTHQUWGGJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S/c28-23(22-15-30-24(27-22)17-7-4-10-25-12-17)20-13-26-21-9-8-18(11-19(20)21)29-14-16-5-2-1-3-6-16/h1-13,15,26H,14H2.
What are the key properties of (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone?
(5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 411.49 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 67914997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).