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

C27H25ClN2O2S — CID 55762873

IUPAC2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C27H25ClN2O2S/c28-24-12-6-9-21(13-24)14-27-30-25(19-33-27)15-26(31)29-16-22-10-4-5-11-23(22)18-32-17-20-7-2-1-3-8-20/h1-13,19H,14-18H2,(H,29,31)
InChIKeyWFSCYXCPSVZWNX-UHFFFAOYSA-N
MW477.03 g/mol
LogP5.96
Rot. Bonds10

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

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 55762873) has the molecular formula C27H25ClN2O2S and a molecular weight of 477.03 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID55762873
Molecular FormulaC27H25ClN2O2S
Molecular Weight477.03 g/mol
Exact Mass476.13
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C27H25ClN2O2S/c28-24-12-6-9-21(13-24)14-27-30-25(19-33-27)15-26(31)29-16-22-10-4-5-11-23(22)18-32-17-20-7-2-1-3-8-20/h1-13,19H,14-18H2,(H,29,31)
InChIKeyWFSCYXCPSVZWNX-UHFFFAOYSA-N
XLogP5.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.03
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46427782
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148071
N-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-3-methoxybenzamide
CID 112822169
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55796894
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55881237
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 55796237

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 55762873) is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is WFSCYXCPSVZWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O2S/c28-24-12-6-9-21(13-24)14-27-30-25(19-33-27)15-26(31)29-16-22-10-4-5-11-23(22)18-32-17-20-7-2-1-3-8-20/h1-13,19H,14-18H2,(H,29,31).
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 477.03 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55762873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).