2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide

C26H24N2O2S — CID 3568889

IUPAC2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
SMILESCCCc1sc(NC(=O)COc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24N2O2S/c1-2-9-23-25(21-16-14-20(15-17-21)19-10-5-3-6-11-19)28-26(31-23)27-24(29)18-30-22-12-7-4-8-13-22/h3-8,10-17H,2,9,18H2,1H3,(H,27,28,29)
InChIKeySCVHKLDEQWJVDF-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.45
Rot. Bonds8

About 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide

2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide (PubChem CID 3568889) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
PubChem CID3568889
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC Name2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
SMILESCCCc1sc(NC(=O)COc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24N2O2S/c1-2-9-23-25(21-16-14-20(15-17-21)19-10-5-3-6-11-19)28-26(31-23)27-24(29)18-30-22-12-7-4-8-13-22/h3-8,10-17H,2,9,18H2,1H3,(H,27,28,29)
InChIKeySCVHKLDEQWJVDF-UHFFFAOYSA-N
XLogP6.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 44994114
4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4061770
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
2-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 126204500
2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 5013046
2-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4285896
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756
N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 87947426

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide (CID 3568889) is 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide is CCCc1sc(NC(=O)COc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is SCVHKLDEQWJVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-2-9-23-25(21-16-14-20(15-17-21)19-10-5-3-6-11-19)28-26(31-23)27-24(29)18-30-22-12-7-4-8-13-22/h3-8,10-17H,2,9,18H2,1H3,(H,27,28,29).
What are the key properties of 2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide?
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 428.56 g/mol, XLogP of 6.45, 8 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-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3568889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).