(4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone

C24H25N3O3S — CID 71292810

IUPAC(4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
SMILESCN1CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1
InChIInChI=1S/C24H25N3O3S/c1-26-11-13-27(14-12-26)23(28)22-16-25-24(31-22)29-19-8-10-21-18(15-19)7-9-20(30-21)17-5-3-2-4-6-17/h2-6,8,10,15-16,20H,7,9,11-14H2,1H3/t20-/m0/s1
InChIKeyOZDFTKODYAFXHI-FQEVSTJZSA-N
MW435.55 g/mol
LogP4.39
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone

(4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone (PubChem CID 71292810) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
PubChem CID71292810
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
SMILESCN1CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1
InChIInChI=1S/C24H25N3O3S/c1-26-11-13-27(14-12-26)23(28)22-16-25-24(31-22)29-19-8-10-21-18(15-19)7-9-20(30-21)17-5-3-2-4-6-17/h2-6,8,10,15-16,20H,7,9,11-14H2,1H3/t20-/m0/s1
InChIKeyOZDFTKODYAFXHI-FQEVSTJZSA-N
XLogP4.39
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-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 (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone (CID 71292810) is (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone is CN1CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The InChIKey is OZDFTKODYAFXHI-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-26-11-13-27(14-12-26)23(28)22-16-25-24(31-22)29-19-8-10-21-18(15-19)7-9-20(30-21)17-5-3-2-4-6-17/h2-6,8,10,15-16,20H,7,9,11-14H2,1H3/t20-/m0/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
(4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone has a molecular weight of 435.55 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 71292810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).