3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline

C26H26N6O2S — CID 118341924

IUPAC3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline
SMILESNc1cccc(-c2nc3n(c2-c2ccnc(N4CCOC(COc5ccccc5)C4)n2)CCS3)c1
InChIInChI=1S/C26H26N6O2S/c27-19-6-4-5-18(15-19)23-24(32-12-14-35-26(32)30-23)22-9-10-28-25(29-22)31-11-13-33-21(16-31)17-34-20-7-2-1-3-8-20/h1-10,15,21H,11-14,16-17,27H2
InChIKeyOCSQPFFKEPTUPI-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.98
Rot. Bonds6

About 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline

3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline (PubChem CID 118341924) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline.

Molecular Properties

Compound Name3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline
PubChem CID118341924
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline
SMILESNc1cccc(-c2nc3n(c2-c2ccnc(N4CCOC(COc5ccccc5)C4)n2)CCS3)c1
InChIInChI=1S/C26H26N6O2S/c27-19-6-4-5-18(15-19)23-24(32-12-14-35-26(32)30-23)22-9-10-28-25(29-22)31-11-13-33-21(16-31)17-34-20-7-2-1-3-8-20/h1-10,15,21H,11-14,16-17,27H2
InChIKeyOCSQPFFKEPTUPI-UHFFFAOYSA-N
XLogP3.98
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline 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 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline?
The IUPAC name of 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline (CID 118341924) is 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline.
What is the SMILES notation for 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline?
The canonical SMILES for 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline is Nc1cccc(-c2nc3n(c2-c2ccnc(N4CCOC(COc5ccccc5)C4)n2)CCS3)c1.
What is the InChIKey of 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline?
The InChIKey is OCSQPFFKEPTUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c27-19-6-4-5-18(15-19)23-24(32-12-14-35-26(32)30-23)22-9-10-28-25(29-22)31-11-13-33-21(16-31)17-34-20-7-2-1-3-8-20/h1-10,15,21H,11-14,16-17,27H2.
What are the key properties of 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline?
3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline has a molecular weight of 486.60 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline is sourced from PubChem (CID 118341924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).