2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C28H25N3O2S — CID 32627812

IUPAC2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H25N3O2S/c32-26(29-19-20-13-15-23(16-14-20)28(33)31-17-7-8-18-31)25-24(21-9-3-1-4-10-21)30-27(34-25)22-11-5-2-6-12-22/h1-6,9-16H,7-8,17-19H2,(H,29,32)
InChIKeyJNDJCMOKTKBBBM-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.64
Rot. Bonds6

About 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 32627812) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID32627812
Molecular FormulaC28H25N3O2S
Molecular Weight467.59 g/mol
Exact Mass467.17
IUPAC Name2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H25N3O2S/c32-26(29-19-20-13-15-23(16-14-20)28(33)31-17-7-8-18-31)25-24(21-9-3-1-4-10-21)30-27(34-25)22-11-5-2-6-12-22/h1-6,9-16H,7-8,17-19H2,(H,29,32)
InChIKeyJNDJCMOKTKBBBM-UHFFFAOYSA-N
XLogP5.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-N-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 9083928
2-(4-ethylphenyl)-4-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46467041
2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24503927
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 60604856
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
1-benzyl-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110953717
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 43043523
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 32627812) is 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JNDJCMOKTKBBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2S/c32-26(29-19-20-13-15-23(16-14-20)28(33)31-17-7-8-18-31)25-24(21-9-3-1-4-10-21)30-27(34-25)22-11-5-2-6-12-22/h1-6,9-16H,7-8,17-19H2,(H,29,32).
What are the key properties of 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 32627812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).