2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone

C20H18N2O3S — CID 17448103

IUPAC2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCc4ccccc43)cs2)cc1OC
InChIInChI=1S/C20H18N2O3S/c1-24-17-8-7-14(11-18(17)25-2)19-21-15(12-26-19)20(23)22-10-9-13-5-3-4-6-16(13)22/h3-8,11-12H,9-10H2,1-2H3
InChIKeyKYLACUDHGDHGFC-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.03
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone

2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 17448103) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID17448103
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCc4ccccc43)cs2)cc1OC
InChIInChI=1S/C20H18N2O3S/c1-24-17-8-7-14(11-18(17)25-2)19-21-15(12-26-19)20(23)22-10-9-13-5-3-4-6-16(13)22/h3-8,11-12H,9-10H2,1-2H3
InChIKeyKYLACUDHGDHGFC-UHFFFAOYSA-N
XLogP4.03
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-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 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone (CID 17448103) is 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone is COc1ccc(-c2nc(C(=O)N3CCc4ccccc43)cs2)cc1OC.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is KYLACUDHGDHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-17-8-7-14(11-18(17)25-2)19-21-15(12-26-19)20(23)22-10-9-13-5-3-4-6-16(13)22/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 17448103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).