methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate

C25H20N2O3S — CID 108739699

IUPACmethyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H20N2O3S/c1-30-25(29)21-10-6-5-9-20(21)23(28)26-15-17-11-13-19(14-12-17)24-27-22(16-31-24)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,26,28)
InChIKeyFWYIMSAHEJVGOQ-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.19
Rot. Bonds6

About methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate

methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate (PubChem CID 108739699) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
PubChem CID108739699
Molecular FormulaC25H20N2O3S
Molecular Weight428.51 g/mol
Exact Mass428.12
IUPAC Namemethyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H20N2O3S/c1-30-25(29)21-10-6-5-9-20(21)23(28)26-15-17-11-13-19(14-12-17)24-27-22(16-31-24)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,26,28)
InChIKeyFWYIMSAHEJVGOQ-UHFFFAOYSA-N
XLogP5.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate with MolForge

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Related Compounds

2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate
CID 108776253
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
CID 142384414
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108749589
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738396

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate?
The IUPAC name of methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate (CID 108739699) is methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate?
The canonical SMILES for methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate is COC(=O)c1ccccc1C(=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate?
The InChIKey is FWYIMSAHEJVGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S/c1-30-25(29)21-10-6-5-9-20(21)23(28)26-15-17-11-13-19(14-12-17)24-27-22(16-31-24)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,26,28).
What are the key properties of methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate?
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate has a molecular weight of 428.51 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate is sourced from PubChem (CID 108739699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).