cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone

C20H23N3O2S — CID 1438647

IUPACcyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
SMILESO=C(C1CC1)N1CCc2cc(-c3csc(NC[C@@H]4CCCO4)n3)ccc21
InChIInChI=1S/C20H23N3O2S/c24-19(13-3-4-13)23-8-7-15-10-14(5-6-18(15)23)17-12-26-20(22-17)21-11-16-2-1-9-25-16/h5-6,10,12-13,16H,1-4,7-9,11H2,(H,21,22)/t16-/m0/s1
InChIKeyDABWCAHVJAXZGK-INIZCTEOSA-N
MW369.49 g/mol
LogP3.70
Rot. Bonds5

About cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone

cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone (PubChem CID 1438647) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
PubChem CID1438647
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Namecyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
SMILESO=C(C1CC1)N1CCc2cc(-c3csc(NC[C@@H]4CCCO4)n3)ccc21
InChIInChI=1S/C20H23N3O2S/c24-19(13-3-4-13)23-8-7-15-10-14(5-6-18(15)23)17-12-26-20(22-17)21-11-16-2-1-9-25-16/h5-6,10,12-13,16H,1-4,7-9,11H2,(H,21,22)/t16-/m0/s1
InChIKeyDABWCAHVJAXZGK-INIZCTEOSA-N
XLogP3.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-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 cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone (CID 1438647) is cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone is O=C(C1CC1)N1CCc2cc(-c3csc(NC[C@@H]4CCCO4)n3)ccc21.
What is the InChIKey of cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The InChIKey is DABWCAHVJAXZGK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(13-3-4-13)23-8-7-15-10-14(5-6-18(15)23)17-12-26-20(22-17)21-11-16-2-1-9-25-16/h5-6,10,12-13,16H,1-4,7-9,11H2,(H,21,22)/t16-/m0/s1.
What are the key properties of cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 369.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 1438647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).