2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide

C24H20N2O2S — CID 108739624

IUPAC2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H20N2O2S/c27-23(16-28-21-9-5-2-6-10-21)25-15-18-11-13-20(14-12-18)24-26-22(17-29-24)19-7-3-1-4-8-19/h1-14,17H,15-16H2,(H,25,27)
InChIKeyKRPMOEHTSADQJI-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.17
Rot. Bonds7

About 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide

2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide (PubChem CID 108739624) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
PubChem CID108739624
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H20N2O2S/c27-23(16-28-21-9-5-2-6-10-21)25-15-18-11-13-20(14-12-18)24-26-22(17-29-24)19-7-3-1-4-8-19/h1-14,17H,15-16H2,(H,25,27)
InChIKeyKRPMOEHTSADQJI-UHFFFAOYSA-N
XLogP5.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2-(3,5-dimethylphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738591
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108761245
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108802336
4-(2-methylphenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108762394
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108762342
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide (CID 108739624) is 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide is O=C(COc1ccccc1)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The InChIKey is KRPMOEHTSADQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-23(16-28-21-9-5-2-6-10-21)25-15-18-11-13-20(14-12-18)24-26-22(17-29-24)19-7-3-1-4-8-19/h1-14,17H,15-16H2,(H,25,27).
What are the key properties of 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide?
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 108739624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).