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

C23H23N5O2S — CID 2380862

IUPAC4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
SMILESCOc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H23N5O2S/c1-29-19-9-7-17(8-10-19)20-16-31-22(24-20)15-21-25-26-23(27-11-13-30-14-12-27)28(21)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3
InChIKeyPZVUVNLAZSCGCQ-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.83
Rot. Bonds6

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

4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine (PubChem CID 2380862) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
PubChem CID2380862
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
SMILESCOc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H23N5O2S/c1-29-19-9-7-17(8-10-19)20-16-31-22(24-20)15-21-25-26-23(27-11-13-30-14-12-27)28(21)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3
InChIKeyPZVUVNLAZSCGCQ-UHFFFAOYSA-N
XLogP3.83
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-{4-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-piperazin-1-yl}-benzothiazole
CID 648474
2-{5-[(4-Methoxy-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1136046
4-[[4-(4-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2082525
2-[[5-(4-Methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2103544
2-{4-[(1-tert-Butyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-piperazin-1-yl}-benzothiazole
CID 654457
2-[3-(ethylsulfanyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-1,3-benzothiazole
CID 663538
4-[[4-(2-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2107694
2-(4-Methoxyphenyl)-6-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 2140141
4-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole
CID 2354223
4-[5-[[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine
CID 2380852
4-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2496531
4-[[5-(2-Methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 2526869

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine (CID 2380862) is 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine is COc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine?
The InChIKey is PZVUVNLAZSCGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-29-19-9-7-17(8-10-19)20-16-31-22(24-20)15-21-25-26-23(27-11-13-30-14-12-27)28(21)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3.
What are the key properties of 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine?
4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine has a molecular weight of 433.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 2380862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).