4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine

C24H25N5O3S — CID 2380852

IUPAC4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
SMILESCOc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1OC
InChIInChI=1S/C24H25N5O3S/c1-30-20-9-8-17(14-21(20)31-2)19-16-33-23(25-19)15-22-26-27-24(28-10-12-32-13-11-28)29(22)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyMTIRFWIERSCBBQ-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.84
Rot. Bonds7

About 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine

4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine (PubChem CID 2380852) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
PubChem CID2380852
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
SMILESCOc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1OC
InChIInChI=1S/C24H25N5O3S/c1-30-20-9-8-17(14-21(20)31-2)19-16-33-23(25-19)15-22-26-27-24(28-10-12-32-13-11-28)29(22)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyMTIRFWIERSCBBQ-UHFFFAOYSA-N
XLogP3.84
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
Tre-515
CID 122491414
4-[(4-Benzothiazol-2-yl-piperazin-1-yl)-(1-tert-butyl-1H-tetrazol-5-yl)-methyl]-2-methoxy-phenol
CID 646829
2-{4-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dimethoxy-phenyl)-methyl]-piperazin-1-yl}-benzothiazole
CID 650775
4-[[4-(1,3-Benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol
CID 655486
2-{4-[(1-Benzyl-1H-tetrazol-5-yl)-(3,4-dimethoxy-phenyl)-methyl]-piperazin-1-yl}-benzothiazole
CID 9549370
2-(4-{(3,4-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-benzothiazole
CID 646125
4-[5-[[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
CID 2380862
4-(3,4-dimethoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole;hydrobromide
CID 6603529
2,6-Bis[4-(2-piperidin-1-ylethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 44583618
4-[[5-(4-Methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2392016
5-((3,4-Dimethoxyphenyl)(2,6-dimethylmorpholino)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4299103

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine (CID 2380852) is 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine is COc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1OC.
What is the InChIKey of 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine?
The InChIKey is MTIRFWIERSCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-30-20-9-8-17(14-21(20)31-2)19-16-33-23(25-19)15-22-26-27-24(28-10-12-32-13-11-28)29(22)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine?
4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine has a molecular weight of 463.56 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 2380852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).